4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile

C22H18N6O — CID 136716304

IUPAC4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
SMILESCc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2
InChIInChI=1S/C22H18N6O/c1-13-20-16(15-9-7-14(12-23)8-10-15)11-19(29)25-21(20)28(26-13)22-24-17-5-3-4-6-18(17)27(22)2/h3-10,16H,11H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyAQIGVQJDGHBUBB-INIZCTEOSA-N
MW382.43 g/mol
LogP3.41
Rot. Bonds2

About 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile

4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile (PubChem CID 136716304) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
PubChem CID136716304
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
SMILESCc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2
InChIInChI=1S/C22H18N6O/c1-13-20-16(15-9-7-14(12-23)8-10-15)11-19(29)25-21(20)28(26-13)22-24-17-5-3-4-6-18(17)27(22)2/h3-10,16H,11H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyAQIGVQJDGHBUBB-INIZCTEOSA-N
XLogP3.41
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(1H-benzimidazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 135876898
4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964896
(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793670
(4R)-4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793676
4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 135634936
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034
4-[1-(1,1-dioxothiolan-3-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 135632414
ethyl 2-[(4R)-4-(4-cyanophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887292
(4S)-1-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871240
3-methyl-4-[4-(methylamino)phenyl]-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 175774192
1-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135529902
(4R)-1-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871237

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile (CID 136716304) is 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile is Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2.
What is the InChIKey of 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile?
The InChIKey is AQIGVQJDGHBUBB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H18N6O/c1-13-20-16(15-9-7-14(12-23)8-10-15)11-19(29)25-21(20)28(26-13)22-24-17-5-3-4-6-18(17)27(22)2/h3-10,16H,11H2,1-2H3,(H,25,29)/t16-/m0/s1.
What are the key properties of 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile?
4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile has a molecular weight of 382.43 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 136716304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).