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

C20H19N5OS — CID 135964951

IUPAC1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)c(C)s1
InChIInChI=1S/C20H19N5OS/c1-10-8-13(12(3)27-10)14-9-17(26)23-19-18(14)11(2)24-25(19)20-21-15-6-4-5-7-16(15)22-20/h4-8,14H,9H2,1-3H3,(H,21,22)(H,23,26)
InChIKeyXVXYGBOQKPNRFI-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.21
Rot. Bonds2

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

1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135964951) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135964951
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)c(C)s1
InChIInChI=1S/C20H19N5OS/c1-10-8-13(12(3)27-10)14-9-17(26)23-19-18(14)11(2)24-25(19)20-21-15-6-4-5-7-16(15)22-20/h4-8,14H,9H2,1-3H3,(H,21,22)(H,23,26)
InChIKeyXVXYGBOQKPNRFI-UHFFFAOYSA-N
XLogP4.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(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
1-(1H-benzimidazol-2-yl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964950
(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
(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
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)-4-(2,5-dimethylthiophen-3-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793846
(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
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-(1,3-benzothiazol-2-yl)-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136828561
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
4-(2-bromophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584742

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 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) is 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(C2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)c(C)s1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XVXYGBOQKPNRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-10-8-13(12(3)27-10)14-9-17(26)23-19-18(14)11(2)24-25(19)20-21-15-6-4-5-7-16(15)22-20/h4-8,14H,9H2,1-3H3,(H,21,22)(H,23,26).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 377.47 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135964951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).