5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H22N6O2 — CID 146043049

IUPAC5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc2[nH]c(C3CCCN3C(=O)c3cc4n(n3)CCN(C)C4=O)nc12
InChIInChI=1S/C20H22N6O2/c1-12-5-3-6-13-17(12)22-18(21-13)15-7-4-8-25(15)19(27)14-11-16-20(28)24(2)9-10-26(16)23-14/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,21,22)
InChIKeyYFGBAOQCGDYZCP-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.13
Rot. Bonds2

About 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146043049) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146043049
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc2[nH]c(C3CCCN3C(=O)c3cc4n(n3)CCN(C)C4=O)nc12
InChIInChI=1S/C20H22N6O2/c1-12-5-3-6-13-17(12)22-18(21-13)15-7-4-8-25(15)19(27)14-11-16-20(28)24(2)9-10-26(16)23-14/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,21,22)
InChIKeyYFGBAOQCGDYZCP-UHFFFAOYSA-N
XLogP2.13
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-[(2S)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95189791
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CID 175645173
1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 91794110
2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 91839594
2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 124756310
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
(1,5-dimethylpyrazol-3-yl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052050
formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 154903848
[2-(4-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118128251
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146043049) is 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cccc2[nH]c(C3CCCN3C(=O)c3cc4n(n3)CCN(C)C4=O)nc12.
What is the InChIKey of 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YFGBAOQCGDYZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-5-3-6-13-17(12)22-18(21-13)15-7-4-8-25(15)19(27)14-11-16-20(28)24(2)9-10-26(16)23-14/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 378.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146043049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).