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

C21H25N5O — CID 136697814

IUPAC(4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)Cn1c([C@@H]2CC(=O)Nc3c2c(C2CC2)nn3C)nc2ccccc21
InChIInChI=1S/C21H25N5O/c1-12(2)11-26-16-7-5-4-6-15(16)22-20(26)14-10-17(27)23-21-18(14)19(13-8-9-13)24-25(21)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)/t14-/m1/s1
InChIKeyXIXBDBLSCMOAQJ-CQSZACIVSA-N
MW363.47 g/mol
LogP3.78
Rot. Bonds4

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

(4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136697814) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136697814
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)Cn1c([C@@H]2CC(=O)Nc3c2c(C2CC2)nn3C)nc2ccccc21
InChIInChI=1S/C21H25N5O/c1-12(2)11-26-16-7-5-4-6-15(16)22-20(26)14-10-17(27)23-21-18(14)19(13-8-9-13)24-25(21)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)/t14-/m1/s1
InChIKeyXIXBDBLSCMOAQJ-CQSZACIVSA-N
XLogP3.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136698073
1-cyclohexyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005272
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820646
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
(4S)-1-(4-chloro-3-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574647
(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7136813
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242606
(3aS,6aS)-5-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146043766
(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080651

Frequently Asked Questions

What is the IUPAC name of (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136697814) is (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)Cn1c([C@@H]2CC(=O)Nc3c2c(C2CC2)nn3C)nc2ccccc21.
What is the InChIKey of (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XIXBDBLSCMOAQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5O/c1-12(2)11-26-16-7-5-4-6-15(16)22-20(26)14-10-17(27)23-21-18(14)19(13-8-9-13)24-25(21)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)/t14-/m1/s1.
What are the key properties of (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 363.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136697814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).