(4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H18ClN3O2 — CID 136833303

IUPAC(4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1C
InChIInChI=1S/C20H18ClN3O2/c1-12-16(21)7-5-8-17(12)24-20-15(11-22-24)14(10-19(25)23-20)13-6-3-4-9-18(13)26-2/h3-9,11,14H,10H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyGHTOAMGQHWUBSE-CQSZACIVSA-N
MW367.84 g/mol
LogP4.32
Rot. Bonds3

About (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136833303) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136833303
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1C
InChIInChI=1S/C20H18ClN3O2/c1-12-16(21)7-5-8-17(12)24-20-15(11-22-24)14(10-19(25)23-20)13-6-3-4-9-18(13)26-2/h3-9,11,14H,10H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyGHTOAMGQHWUBSE-CQSZACIVSA-N
XLogP4.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(2-butoxyphenyl)-1-(3-chloro-2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759678
(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833353
(4S)-1-(3-chloro-2-methylphenyl)-4-(3,4-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833320
(4R)-1-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759700
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
(4S)-1-(3-chloro-2-methylphenyl)-4-(4-ethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759701
(4S)-4-(5-bromo-2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833121
(4R)-1-(4-chlorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833288
1-(1,3-benzothiazol-2-yl)-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964816
(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800406
4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969
1-(2-chlorophenyl)-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636885

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136833303) is (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1C.
What is the InChIKey of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is GHTOAMGQHWUBSE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-16(21)7-5-8-17(12)24-20-15(11-22-24)14(10-19(25)23-20)13-6-3-4-9-18(13)26-2/h3-9,11,14H,10H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 367.84 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136833303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).