1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one

C20H24N4O3 — CID 163220193

IUPAC1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-23-17-12-21-19(22-15-9-8-14(26-2)10-18(15)27-3)11-16(17)24(20(23)25)13-6-4-5-7-13/h8-13H,4-7H2,1-3H3,(H,21,22)
InChIKeyYNUSHILWQLXQLV-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.61
Rot. Bonds5

About 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one

1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 163220193) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one
PubChem CID163220193
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-23-17-12-21-19(22-15-9-8-14(26-2)10-18(15)27-3)11-16(17)24(20(23)25)13-6-4-5-7-13/h8-13H,4-7H2,1-3H3,(H,21,22)
InChIKeyYNUSHILWQLXQLV-UHFFFAOYSA-N
XLogP3.61
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one (CID 163220193) is 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one is COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(OC)c1.
What is the InChIKey of 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is YNUSHILWQLXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23-17-12-21-19(22-15-9-8-14(26-2)10-18(15)27-3)11-16(17)24(20(23)25)13-6-4-5-7-13/h8-13H,4-7H2,1-3H3,(H,21,22).
What are the key properties of 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 368.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).