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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

7450293
7450293

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl]amino]ethanol 2-[[9-methyl-5-(1-piperidyl)-2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 -6.04 -9.83 2 7 0 79 276.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3- N-(2,2-dimethoxyethyl)-9-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 -3.96 -9.31 1 8 0 77 320.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N,9-trimethyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine N,N,9-trimethyl-5-(1-piperidyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 -1.14 -8.16 0 6 0 50 260.345 2 ↓

Analogs

7450169
7450169

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine N,N-diethyl-9-methyl-5-(1-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 -0.71 -7.92 0 6 0 50 288.399 4 ↓

Analogs

7450041
7450041
4375024
4375024

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl]-amino]et 2-[methyl-[9-methyl-5-(1-piperid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 -3.7 -8.73 1 7 0 70 290.371 4 ↓

Analogs

7450355
7450355

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl]amino]propan-2-o 1-[[9-methyl-5-(1-piperidyl)-2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 -5.81 -8.32 2 7 0 79 290.371 4 ↓

Analogs

7450347
7450347

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[9-methyl-5-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl]amino]propan-2-o 1-[[9-methyl-5-(1-piperidyl)-2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 -5.75 -9.3 2 7 0 79 290.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-butyl-6-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (3R,6S)-N-butyl-6-methyl-1-(1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 7.82 -13.29 1 7 0 76 330.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-butyl-6-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (3S,6S)-N-butyl-6-methyl-1-(1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 7.41 -11.23 1 7 0 76 330.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-butyl-6-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (3R,6R)-N-butyl-6-methyl-1-(1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 7.41 -11.24 1 7 0 76 330.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-butyl-6-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (3S,6R)-N-butyl-6-methyl-1-(1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 7.82 -13.16 1 7 0 76 330.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidyl]methanamine N-methyl-1-[1-(1-methylpyrazolo[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 6.63 -46.97 2 6 1 63 261.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidyl]methyl]ethanamine N-[[1-(1-methylpyrazolo[3,4-d]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 7.5 -46.04 2 6 1 63 275.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidyl]methyl]propan-1-amine N-[[1-(1-methylpyrazolo[3,4-d]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 8.25 -47.12 2 6 1 63 289.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidyl]methyl]propan-2-amine N-[[1-(1-methylpyrazolo[3,4-d]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 8 -45.08 2 6 1 63 289.407 4 ↓

Analogs

48462350
48462350
49980071
49980071

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-amine 1-(1-methylpyrazolo[3,4-d]pyrimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.42 3.99 -50.77 3 6 1 74 233.299 1 ↓

Analogs

8945422
8945422
8945549
8945549

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide N-[2-[6-methylsulfanyl-4-(1-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 5.48 -15.14 1 7 0 76 334.449 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide N-(3-methoxypropyl)-1-(1-methylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.45 5.6 -15.1 1 8 0 85 332.408 6 ↓

Analogs

14300365
14300365

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide N,N-dimethyl-1-(1-methylpyrazolo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.01 6.62 -15.52 0 7 0 67 288.355 2 ↓

Analogs

14300354
14300354

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Popular Name: N-isopentyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide N-isopentyl-1-(1-methylpyrazolo[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.8 -14.45 1 7 0 76 330.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-pyrazolo[4,3-e]pyrimidin-4-yl)piperidin-4-ol 1-(1H-pyrazolo[4,3-e]pyrimidin-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.73 1.13 -7.98 2 6 0 78 219.248 1 ↓

Analogs

14300354
14300354

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide N-butyl-N-methyl-1-(1-methylpyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 9.1 -15.24 0 7 0 67 330.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidyl]methyl]propan-2-amine N-methyl-N-[[1-(1-methylpyrazolo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 9.88 -41.1 1 6 1 51 303.434 4 ↓

Analogs

11568667
11568667

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic 4-methyl-1-(1-methylpyrazolo[3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 7.55 -51.79 0 7 -1 87 274.304 2 ↓

Analogs

11568667
11568667

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic 4-ethyl-1-(1-methylpyrazolo[3,4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 8 -50.95 0 7 -1 87 288.331 3 ↓
Lo Low (pH 4.5-6) 0.91 6.18 -11.59 1 7 0 84 289.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylic (3S)-3-methyl-1-(1-methylpyrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 7.93 -48.13 0 7 -1 87 274.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylic (3R)-3-methyl-1-(1-methylpyrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 7.91 -48.05 0 7 -1 87 274.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylic (3S)-3-ethyl-1-(1-methylpyrazolo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 8.44 -47.22 0 7 -1 87 288.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylic (3R)-3-ethyl-1-(1-methylpyrazolo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.91 8.72 -52.1 0 7 -1 87 288.331 3 ↓

Analogs

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Popular Name: 2-[(3R)-1-(3-bromo-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-3-piperidyl]ethanol 2-[(3R)-1-(3-bromo-1-methyl-pyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 5.42 -7.59 1 6 0 67 340.225 3 ↓

Analogs

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Popular Name: 2-[(3S)-1-(3-bromo-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-3-piperidyl]ethanol 2-[(3S)-1-(3-bromo-1-methyl-pyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 5.45 -7.58 1 6 0 67 340.225 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidyl]methanol [1-(1-methylpyrazolo[3,4-d]pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.45 4.04 -8.27 1 6 0 67 247.302 2 ↓

Analogs

9531893
9531893

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidyl]ethanamine N-methyl-2-[1-(1-methylpyrazolo[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 7.23 -45.65 2 6 1 63 275.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2S)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(1-methylpyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 6.7 -41.65 2 6 1 63 275.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(1-methylpyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 6.69 -41.77 2 6 1 63 275.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methyl-1-piperidyl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine 4-(4-methyl-1-piperidyl)-3-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 7.31 -5.85 1 5 0 58 263.37 2 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 8.25 -9.94 1 7 0 84 321.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide 1-(3-methylsulfanyl-1H-pyrazolo[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 3.37 -13.38 3 7 0 101 292.368 3 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-piperidyl]methanamine N,N-dimethyl-1-[(2R)-1-(1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 8.39 -31.7 1 6 1 51 275.38 3 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2S)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-piperidyl]methanamine N,N-dimethyl-1-[(2S)-1-(1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 8.13 -38.65 1 6 1 51 275.38 3 ↓

Analogs

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Popular Name: 1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-2-carboxylic acid hydrochloride 1-{1-methyl-1H-pyrazolo[3,4-d]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.00 6.82 -50.18 0 7 -1 87 260.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-2-carboxylic acid hydrochloride 1-{1-methyl-1H-pyrazolo[3,4-d]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.00 6.82 -50.34 0 7 -1 87 260.277 2 ↓

Analogs

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Popular Name: 1-(6-chloro-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-amine 1-(6-chloro-1-methyl-pyrazolo[3,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.58 3.8 -51.25 3 6 1 74 267.744 1 ↓

Analogs

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Popular Name: 1-(6-chloro-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic 1-(6-chloro-1-methyl-pyrazolo[3,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 7.14 -50.92 0 7 -1 87 294.722 2 ↓

Analogs

38580495
38580495

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Popular Name: (3S)-1-(6-chloro-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylic (3S)-1-(6-chloro-1-methyl-pyrazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 7.05 -46.89 0 7 -1 87 294.722 2 ↓

Analogs

38580494
38580494

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Popular Name: (3R)-1-(6-chloro-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylic (3R)-1-(6-chloro-1-methyl-pyrazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 7.1 -47.07 0 7 -1 87 294.722 2 ↓

Analogs

14219453
14219453
14300354
14300354

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Popular Name: N-butyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide N-butyl-1-(1-methylpyrazolo[3,4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 7.29 -14.43 1 7 0 76 316.409 5 ↓

Analogs

42102771
42102771
13496914
13496914

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Popular Name: 4-[(3R)-3-ethyl-1-piperidyl]-1-methyl-pyrazolo[3,4-d]pyrimidine 4-[(3R)-3-ethyl-1-piperidyl]-1-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 7.98 -6.7 0 5 0 47 245.33 2 ↓

Analogs

42102768
42102768
13496914
13496914

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-ethyl-1-piperidyl]-1-methyl-pyrazolo[3,4-d]pyrimidine 4-[(3S)-3-ethyl-1-piperidyl]-1-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 7.98 -6.7 0 5 0 47 245.33 2 ↓

Analogs

42108499
42108499

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Popular Name: N-[(3S)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-piperidyl]methanesulfonamide N-[(3S)-1-(1-methylpyrazolo[3,4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.14 2.72 -14.92 1 8 0 93 310.383 3 ↓

Parameters Provided:

ring.id = 5373
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 5373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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