5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one

C20H24N4O — CID 71214483

IUPAC5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC2CCCCC2)c2ccc(Nc3ccccc3)nc21
InChIInChI=1S/C20H24N4O/c1-23-19-17(24(20(23)25)14-15-8-4-2-5-9-15)12-13-18(22-19)21-16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9,14H2,1H3,(H,21,22)
InChIKeyKCFPDDHRUPLHCO-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.06
Rot. Bonds4

About 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one

5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 71214483) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID71214483
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC2CCCCC2)c2ccc(Nc3ccccc3)nc21
InChIInChI=1S/C20H24N4O/c1-23-19-17(24(20(23)25)14-15-8-4-2-5-9-15)12-13-18(22-19)21-16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9,14H2,1H3,(H,21,22)
InChIKeyKCFPDDHRUPLHCO-UHFFFAOYSA-N
XLogP4.06
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 71214483) is 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC2CCCCC2)c2ccc(Nc3ccccc3)nc21.
What is the InChIKey of 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is KCFPDDHRUPLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23-19-17(24(20(23)25)14-15-8-4-2-5-9-15)12-13-18(22-19)21-16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9,14H2,1H3,(H,21,22).
What are the key properties of 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 336.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71214483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).