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Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-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) 0.06 3.29 -54.47 3 5 1 73 219.268 3 ↓
Hi High (pH 8-9.5) 0.06 2.9 -16.12 2 5 0 72 218.26 3 ↓
Hi High (pH 8-9.5) 0.06 2.85 -14.39 2 5 0 72 218.26 3 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridyl]-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-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) 0.96 4.19 -54.5 3 5 1 73 287.265 4 ↓
Hi High (pH 8-9.5) 0.96 3.85 -13.75 2 5 0 72 286.257 4 ↓
Hi High (pH 8-9.5) 0.96 3.8 -12.06 2 5 0 72 286.257 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-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) 0.46 3.96 -53.97 3 5 1 73 233.295 3 ↓
Hi High (pH 8-9.5) 0.46 3.57 -14.21 2 5 0 72 232.287 3 ↓
Hi High (pH 8-9.5) 0.46 3.53 -15.88 2 5 0 72 232.287 3 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridyl]-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-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) 1.23 5.02 -52.08 3 5 1 73 301.292 5 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-[5-(trifluoromethyl)-2-pyridyl]-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-ethyl-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) 1.46 5.07 -54.69 3 5 1 73 301.292 5 ↓
Hi High (pH 8-9.5) 1.46 4.68 -13.25 2 5 0 72 300.284 5 ↓
Hi High (pH 8-9.5) 1.46 4.68 -11.63 2 5 0 72 300.284 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-methyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-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) 0.32 4.07 -52.77 3 5 1 73 233.295 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-tert-but…

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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) 1.38 5 -53.67 3 5 1 73 261.349 4 ↓
Hi High (pH 8-9.5) 1.38 4.61 -14.19 2 5 0 72 260.341 4 ↓
Hi High (pH 8-9.5) 1.38 4.6 -12.54 2 5 0 72 260.341 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-isopropyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-isopropy…

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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) 0.80 4.71 -54.28 3 5 1 73 247.322 4 ↓
Hi High (pH 8-9.5) 0.80 4.31 -14.71 2 5 0 72 246.314 4 ↓
Hi High (pH 8-9.5) 0.80 4.31 -13.05 2 5 0 72 246.314 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-ethyl-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) 0.56 4.12 -54.78 3 5 1 73 233.295 4 ↓
Hi High (pH 8-9.5) 0.56 3.73 -15.61 2 5 0 72 232.287 4 ↓
Hi High (pH 8-9.5) 0.56 3.73 -13.9 2 5 0 72 232.287 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-propyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-propyl-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) 1.12 4.89 -54.71 3 5 1 73 247.322 5 ↓
Hi High (pH 8-9.5) 1.12 4.5 -15.18 2 5 0 72 246.314 5 ↓
Hi High (pH 8-9.5) 1.12 4.5 -13.52 2 5 0 72 246.314 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-methyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-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) 0.73 4.75 -52.17 3 5 1 73 247.322 4 ↓
Lo Low (pH 4.5-6) 0.73 5.17 -83.25 4 5 2 74 248.33 4 ↓
Lo Low (pH 4.5-6) 0.73 5.13 -83.24 4 5 2 74 248.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-tert-but…

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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) 1.78 5.66 -53.22 3 5 1 73 275.376 4 ↓
Hi High (pH 8-9.5) 1.78 5.27 -12.29 2 5 0 72 274.368 4 ↓
Hi High (pH 8-9.5) 1.78 5.29 -14.01 2 5 0 72 274.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-isopropyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-isopropy…

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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) 1.20 5.39 -53.73 3 5 1 73 261.349 4 ↓
Hi High (pH 8-9.5) 1.20 5 -14.53 2 5 0 72 260.341 4 ↓
Hi High (pH 8-9.5) 1.20 5 -12.81 2 5 0 72 260.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-ethyl-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) 0.96 4.78 -54.78 3 5 1 73 247.322 4 ↓
Hi High (pH 8-9.5) 0.96 4.39 -15.57 2 5 0 72 246.314 4 ↓
Hi High (pH 8-9.5) 0.96 4.39 -13.82 2 5 0 72 246.314 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-(4-methyl-2-pyridyl)-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(4-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) 1.52 5.55 -54.72 3 5 1 73 261.349 5 ↓
Hi High (pH 8-9.5) 1.52 5.16 -15.14 2 5 0 72 260.341 5 ↓
Hi High (pH 8-9.5) 1.52 5.16 -13.38 2 5 0 72 260.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-ethyl-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) 0.83 4.9 -52.8 3 5 1 73 247.322 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-tert-bu…

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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) 1.65 5.78 -51.99 3 5 1 73 275.376 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-isopropyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-isoprop…

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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) 1.07 5.48 -52.27 3 5 1 73 261.349 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-propyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-propyl-…

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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) 1.39 5.67 -52.71 3 5 1 73 261.349 6 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-ethyl-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) 1.23 5.56 -52.78 3 5 1 73 261.349 5 ↓
Lo Low (pH 4.5-6) 1.23 5.98 -83.7 4 5 2 74 262.357 5 ↓
Lo Low (pH 4.5-6) 1.23 5.98 -83.71 4 5 2 74 262.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-tert-bu…

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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) 2.05 6.46 -51.21 3 5 1 73 289.403 5 ↓
Lo Low (pH 4.5-6) 2.05 6.88 -83.55 4 5 2 74 290.411 5 ↓
Lo Low (pH 4.5-6) 2.05 6.87 -83.53 4 5 2 74 290.411 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-isopropyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-isoprop…

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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) 1.47 6.18 -51.65 3 5 1 73 275.376 5 ↓
Lo Low (pH 4.5-6) 1.47 6.6 -83.45 4 5 2 74 276.384 5 ↓
Lo Low (pH 4.5-6) 1.47 6.6 -83.48 4 5 2 74 276.384 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-(4-methyl-2-pyridyl)-5-propyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-(4-meth…

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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 6.33 -52.65 3 5 1 73 275.376 6 ↓
Lo Low (pH 4.5-6) 1.79 6.75 -83.99 4 5 2 74 276.384 6 ↓
Lo Low (pH 4.5-6) 1.79 6.75 -84.07 4 5 2 74 276.384 6 ↓

Analogs

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Popular Name: 5-oxo-1-[5-(trifluoromethyl)-2-pyridyl]-4H-pyrazole-3-carboxylic 5-oxo-1-[5-(trifluoromethyl)-2-p…

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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) 0.65 5.49 -38.43 0 6 -1 86 272.162 3 ↓

Analogs

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Popular Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-oxo-4H-pyrazole-3-carboxylic 1-[3-chloro-5-(trifluoromethyl)-…

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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 6.18 -38.84 0 6 -1 86 306.607 3 ↓

Parameters Provided:

ring.id = 264642
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 264642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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