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

C21H26N4O2 — CID 163220039

IUPAC1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1
InChIInChI=1S/C21H26N4O2/c1-4-27-16-9-10-17(14(2)11-16)23-20-12-18-19(13-22-20)24(3)21(26)25(18)15-7-5-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,22,23)
InChIKeyHKYIOJBRGZPVCL-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.30
Rot. Bonds5

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

1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 163220039) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
PubChem CID163220039
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1
InChIInChI=1S/C21H26N4O2/c1-4-27-16-9-10-17(14(2)11-16)23-20-12-18-19(13-22-20)24(3)21(26)25(18)15-7-5-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,22,23)
InChIKeyHKYIOJBRGZPVCL-UHFFFAOYSA-N
XLogP4.30
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one (CID 163220039) is 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one is CCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1.
What is the InChIKey of 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is HKYIOJBRGZPVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-27-16-9-10-17(14(2)11-16)23-20-12-18-19(13-22-20)24(3)21(26)25(18)15-7-5-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,22,23).
What are the key properties of 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 366.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).