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

C19H21ClN4O — CID 163220106

IUPAC6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCc1cc(Cl)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C19H21ClN4O/c1-12-9-13(20)7-8-15(12)22-18-10-16-17(11-21-18)23(2)19(25)24(16)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22)
InChIKeyQXDJAGKQYJREHU-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.56
Rot. Bonds3

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

6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 163220106) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one
PubChem CID163220106
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCc1cc(Cl)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C19H21ClN4O/c1-12-9-13(20)7-8-15(12)22-18-10-16-17(11-21-18)23(2)19(25)24(16)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22)
InChIKeyQXDJAGKQYJREHU-UHFFFAOYSA-N
XLogP4.56
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one (CID 163220106) is 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one is Cc1cc(Cl)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is QXDJAGKQYJREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-12-9-13(20)7-8-15(12)22-18-10-16-17(11-21-18)23(2)19(25)24(16)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22).
What are the key properties of 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one?
6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 356.86 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).