1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one

C19H19F3N4O — CID 163219975

IUPAC1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3C(F)(F)F)ncc21
InChIInChI=1S/C19H19F3N4O/c1-25-16-11-23-17(24-14-9-5-4-8-13(14)19(20,21)22)10-15(16)26(18(25)27)12-6-2-3-7-12/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,24)
InChIKeyOEDJZXQWRKIQMV-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.61
Rot. Bonds3

About 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one

1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one (PubChem CID 163219975) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one
PubChem CID163219975
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3C(F)(F)F)ncc21
InChIInChI=1S/C19H19F3N4O/c1-25-16-11-23-17(24-14-9-5-4-8-13(14)19(20,21)22)10-15(16)26(18(25)27)12-6-2-3-7-12/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,24)
InChIKeyOEDJZXQWRKIQMV-UHFFFAOYSA-N
XLogP4.61
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one (CID 163219975) is 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one is Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3C(F)(F)F)ncc21.
What is the InChIKey of 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one?
The InChIKey is OEDJZXQWRKIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-25-16-11-23-17(24-14-9-5-4-8-13(14)19(20,21)22)10-15(16)26(18(25)27)12-6-2-3-7-12/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,24).
What are the key properties of 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one?
1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one has a molecular weight of 376.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-6-[2-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163219975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).