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

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Popular Name: 4-[(5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]-N-(2-pyridylmethyl)benzamide 4-[(5-oxo-6,7-dihydropyrazolo[5,…

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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) 0.22 7.36 -15.45 1 7 0 80 361.405 5 ↓
Lo Low (pH 4.5-6) 0.22 7.74 -45.73 2 7 1 81 362.413 5 ↓

Analogs

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Popular Name: 4-[(5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 4-[(5-oxo-6,7-dihydropyrazolo[5,…

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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) 0.15 7.42 -15.11 1 7 0 80 361.405 5 ↓
Lo Low (pH 4.5-6) 0.15 7.87 -49.06 2 7 1 81 362.413 5 ↓

Analogs

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]benzamide N-[2-(1H-indol-3-yl)ethyl]-4-[(5…

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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) 1.94 10.01 -19.98 2 7 0 83 413.481 6 ↓

Analogs

15724150
15724150

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Popular Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]benzami N-[2-(4-ethylpiperazin-1-yl)ethy…

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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) 0.29 7.69 -46.64 2 8 1 75 411.53 7 ↓
Hi High (pH 8-9.5) 0.29 5.38 -15.12 1 8 0 74 410.522 7 ↓
Mid Mid (pH 6-8) 0.29 7.71 -50.07 2 8 1 75 411.53 7 ↓

Analogs

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Popular Name: 2-phenyl-4-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidi 2-phenyl-4-[[4-[4-(2-pyridyl)pip…

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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 13.39 -44.4 1 8 1 76 493.591 5 ↓
Mid Mid (pH 6-8) 2.12 13.11 -18.85 0 8 0 75 492.583 5 ↓

Analogs

35477566
35477566
35477602
35477602
35477606
35477606
35477608
35477608
35477613
35477613

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Popular Name: N-cycloheptyl-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]benzamide N-cycloheptyl-4-[(5-oxo-2-phenyl…

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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) 4.07 13 -17.8 1 6 0 67 442.563 5 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]benzamide N-(2-furylmethyl)-4-[(5-oxo-2-ph…

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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) 2.32 11.01 -17.4 1 7 0 80 426.476 6 ↓

Analogs

35477563
35477563
35477576
35477576

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Popular Name: N-[(4-methoxyphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]benza N-[(4-methoxyphenyl)methyl]-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) 3.12 12.19 -18.04 1 7 0 76 466.541 7 ↓

Analogs

35477602
35477602
35477606
35477606

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Popular Name: 4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide 4-[(5-oxo-2-phenyl-6,7-dihydropy…

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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) 3.62 13.74 -15.84 1 6 0 67 450.542 6 ↓

Analogs

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Popular Name: 4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide 4-[(5-oxo-2-phenyl-6,7-dihydropy…

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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) 3.62 13.73 -17.89 1 6 0 67 450.542 6 ↓

Analogs

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Popular Name: N-[(5-methyl-2-furyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]benz N-[(5-methyl-2-furyl)methyl]-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) 2.54 11.83 -17.33 1 7 0 80 440.503 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)meth N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 3.05 12.69 -19.86 1 7 0 80 454.53 7 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)meth N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 3.05 12.73 -21.66 1 7 0 80 454.53 7 ↓

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)methyl]b N-[(2,4-dimethoxyphenyl)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) 3.10 11.56 -19.18 1 8 0 86 496.567 8 ↓

Analogs

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Popular Name: 4-[(1R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-methyl-6,7-dihydropyrazolo[1,5 4-[(1R)-2-[4-(3-methoxyphenyl)pi…

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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) 0.92 8.27 -17.64 0 8 0 71 397.479 4 ↓

Analogs

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Popular Name: 4-[(1S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-methyl-6,7-dihydropyrazolo[1,5 4-[(1S)-2-[4-(3-methoxyphenyl)pi…

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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) 0.92 8.07 -18.24 0 8 0 71 397.479 4 ↓

Analogs

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Popular Name: (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)propanamide (2R)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.72 6.22 -18.68 1 7 0 80 313.361 4 ↓
Lo Low (pH 4.5-6) -0.72 6.61 -48.02 2 7 1 81 314.369 4 ↓

Analogs

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Popular Name: (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)propanamide (2S)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.72 5.96 -16.96 1 7 0 80 313.361 4 ↓
Lo Low (pH 4.5-6) -0.72 6.35 -48.77 2 7 1 81 314.369 4 ↓

Analogs

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Popular Name: (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(3-pyridylmethyl)propanamide (2R)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.78 6.28 -17.67 1 7 0 80 313.361 4 ↓
Lo Low (pH 4.5-6) -0.78 6.72 -52.46 2 7 1 81 314.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(3-pyridylmethyl)propanamide (2S)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.78 6.02 -17.25 1 7 0 80 313.361 4 ↓
Lo Low (pH 4.5-6) -0.78 6.46 -51.15 2 7 1 81 314.369 4 ↓

Analogs

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Popular Name: 2-methyl-4-[(1R)-1-[4-(2-pyridyl)piperazine-1-carbonyl]propyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5 2-methyl-4-[(1R)-1-[4-(2-pyridyl…

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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) 0.52 9.64 -46.99 1 8 1 76 383.476 4 ↓
Mid Mid (pH 6-8) 0.52 9.36 -19.93 0 8 0 75 382.468 4 ↓

Analogs

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Popular Name: 2-methyl-4-[(1S)-1-[4-(2-pyridyl)piperazine-1-carbonyl]propyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5 2-methyl-4-[(1S)-1-[4-(2-pyridyl…

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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) 0.52 9.48 -49.78 1 8 1 76 383.476 4 ↓
Mid Mid (pH 6-8) 0.52 9.21 -16.21 0 8 0 75 382.468 4 ↓

Analogs

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Popular Name: (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)butanamide (2R)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.18 7.22 -18.3 1 7 0 80 327.388 5 ↓
Lo Low (pH 4.5-6) -0.18 7.61 -47.96 2 7 1 81 328.396 5 ↓

Analogs

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Popular Name: (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)butanamide (2S)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.18 6.99 -16.55 1 7 0 80 327.388 5 ↓
Lo Low (pH 4.5-6) -0.18 7.38 -48.74 2 7 1 81 328.396 5 ↓

Analogs

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Popular Name: (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(3-pyridylmethyl)butanamide (2R)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.25 7.28 -17.21 1 7 0 80 327.388 5 ↓
Lo Low (pH 4.5-6) -0.25 7.72 -52.38 2 7 1 81 328.396 5 ↓

Analogs

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Popular Name: (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(3-pyridylmethyl)butanamide (2S)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.25 7.05 -16.86 1 7 0 80 327.388 5 ↓
Lo Low (pH 4.5-6) -0.25 7.49 -51.06 2 7 1 81 328.396 5 ↓

Analogs

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Popular Name: 2-methyl-4-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one 2-methyl-4-[2-oxo-2-[4-(2-pyridy…

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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) -0.34 7.25 -47.46 1 8 1 76 355.422 3 ↓
Mid Mid (pH 6-8) -0.34 6.98 -19.52 0 8 0 75 354.414 3 ↓

Analogs

35477926
35477926
35477929
35477929
35477945
35477945
35477956
35477956
35477967
35477967

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Popular Name: N-isopropyl-2-(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)acetamide N-isopropyl-2-(5-oxo-2-phenyl-6,…

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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) 1.35 7.25 -18.69 1 6 0 67 312.373 4 ↓

Analogs

35477948
35477948
35477952
35477952
35477973
35477973
35477976
35477976
35477987
35477987

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Popular Name: 2-(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ace 2-(5-oxo-2-phenyl-6,7-dihydropyr…

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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) 1.05 6.67 -17.51 1 7 0 76 354.41 5 ↓

Analogs

35477948
35477948
35477952
35477952
35477973
35477973
35477976
35477976
35477987
35477987

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Popular Name: 2-(5-oxo-2-phenyl-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ace 2-(5-oxo-2-phenyl-6,7-dihydropyr…

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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) 1.05 6.69 -16.46 1 7 0 76 354.41 5 ↓

Analogs

35477923
35477923
35477926
35477926
35477959
35477959

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acet N-[(2-chlorophenyl)methyl]-2-[2-…

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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) 3.36 10.36 -17.99 1 6 0 67 429.307 5 ↓

Parameters Provided:

ring.id = 86328
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 = 86328 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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