5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one

C18H17F4N3O — CID 54760871

IUPAC5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1ccc2c(n1)n(C)c(=O)n2CCCC(F)(F)F
InChIInChI=1S/C18H17F4N3O/c1-11-10-12(19)4-5-13(11)14-6-7-15-16(23-14)24(2)17(26)25(15)9-3-8-18(20,21)22/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFLSYILRFABGWHZ-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.19
Rot. Bonds4

About 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one

5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 54760871) has the molecular formula C18H17F4N3O and a molecular weight of 367.35 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one
PubChem CID54760871
Molecular FormulaC18H17F4N3O
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1ccc2c(n1)n(C)c(=O)n2CCCC(F)(F)F
InChIInChI=1S/C18H17F4N3O/c1-11-10-12(19)4-5-13(11)14-6-7-15-16(23-14)24(2)17(26)25(15)9-3-8-18(20,21)22/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFLSYILRFABGWHZ-UHFFFAOYSA-N
XLogP4.19
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one (CID 54760871) is 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one is Cc1cc(F)ccc1-c1ccc2c(n1)n(C)c(=O)n2CCCC(F)(F)F.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is FLSYILRFABGWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O/c1-11-10-12(19)4-5-13(11)14-6-7-15-16(23-14)24(2)17(26)25(15)9-3-8-18(20,21)22/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one?
5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 367.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54760871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).