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

C19H21FN4O — CID 163220167

IUPAC1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCc1cc(F)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C19H21FN4O/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)
InChIKeyXUECAPPDLVRRFO-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.04
Rot. Bonds3

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

1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 163220167) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
PubChem CID163220167
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCc1cc(F)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C19H21FN4O/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)
InChIKeyXUECAPPDLVRRFO-UHFFFAOYSA-N
XLogP4.04
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one (CID 163220167) is 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one is Cc1cc(F)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is XUECAPPDLVRRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/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 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one?
1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 340.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).