(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H20ClN3O — CID 136833222

IUPAC(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClN3O/c1-13(2)14-6-8-15(9-7-14)18-11-20(26)24-21-19(18)12-23-25(21)17-5-3-4-16(22)10-17/h3-10,12-13,18H,11H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyHRSHSQMUQSZBCA-SFHVURJKSA-N
MW365.86 g/mol
LogP5.12
Rot. Bonds3

About (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136833222) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136833222
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClN3O/c1-13(2)14-6-8-15(9-7-14)18-11-20(26)24-21-19(18)12-23-25(21)17-5-3-4-16(22)10-17/h3-10,12-13,18H,11H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyHRSHSQMUQSZBCA-SFHVURJKSA-N
XLogP5.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833167
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587
(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833112
(4R)-1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833239
(4R)-1-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759700
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
(4R)-4-(3-bromophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833557
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135732933
(4S)-1-(3-chloro-2-methylphenyl)-4-(4-ethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759701
(4S)-1-(3-chloro-2-methylphenyl)-4-(3,4-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833320

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136833222) is (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1.
What is the InChIKey of (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HRSHSQMUQSZBCA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-13(2)14-6-8-15(9-7-14)18-11-20(26)24-21-19(18)12-23-25(21)17-5-3-4-16(22)10-17/h3-10,12-13,18H,11H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 365.86 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136833222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).