(4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H15Cl2N5O — CID 136716381

IUPAC(4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2
InChIInChI=1S/C20H15Cl2N5O/c1-10-18-12(11-6-7-13(21)14(22)8-11)9-17(28)25-19(18)27(26-10)20-23-15-4-2-3-5-16(15)24-20/h2-8,12H,9H2,1H3,(H,23,24)(H,25,28)/t12-/m1/s1
InChIKeyAJOPVZANHORYPQ-GFCCVEGCSA-N
MW412.28 g/mol
LogP4.84
Rot. Bonds2

About (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136716381) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136716381
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Name(4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2
InChIInChI=1S/C20H15Cl2N5O/c1-10-18-12(11-6-7-13(21)14(22)8-11)9-17(28)25-19(18)27(26-10)20-23-15-4-2-3-5-16(15)24-20/h2-8,12H,9H2,1H3,(H,23,24)(H,25,28)/t12-/m1/s1
InChIKeyAJOPVZANHORYPQ-GFCCVEGCSA-N
XLogP4.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-benzimidazol-2-yl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964950
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-[(4R)-1-(1H-benzimidazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 136793653
(4S)-1-(1H-benzimidazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793904
1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964951
2-[4-[1-(1H-benzimidazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
CID 135656016
(4S)-1-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930905
1-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135529902
1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135876944
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034
1-(1,3-benzoxazol-2-yl)-4-(3-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964911
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136828556

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136716381) is (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2.
What is the InChIKey of (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AJOPVZANHORYPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c1-10-18-12(11-6-7-13(21)14(22)8-11)9-17(28)25-19(18)27(26-10)20-23-15-4-2-3-5-16(15)24-20/h2-8,12H,9H2,1H3,(H,23,24)(H,25,28)/t12-/m1/s1.
What are the key properties of (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 412.28 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136716381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).