6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one

C19H15F2N5O — CID 134489968

IUPAC6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1c(F)ccc(-c2cnc3c(c2)n(Cc2ncccn2)c(=O)n3C)c1F
InChIInChI=1S/C19H15F2N5O/c1-11-14(20)5-4-13(17(11)21)12-8-15-18(24-9-12)25(2)19(27)26(15)10-16-22-6-3-7-23-16/h3-9H,10H2,1-2H3
InChIKeyNUHDMUVMTWGWHZ-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.83
Rot. Bonds3

About 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one

6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134489968) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134489968
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1c(F)ccc(-c2cnc3c(c2)n(Cc2ncccn2)c(=O)n3C)c1F
InChIInChI=1S/C19H15F2N5O/c1-11-14(20)5-4-13(17(11)21)12-8-15-18(24-9-12)25(2)19(27)26(15)10-16-22-6-3-7-23-16/h3-9H,10H2,1-2H3
InChIKeyNUHDMUVMTWGWHZ-UHFFFAOYSA-N
XLogP2.83
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134489968) is 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cc1c(F)ccc(-c2cnc3c(c2)n(Cc2ncccn2)c(=O)n3C)c1F.
What is the InChIKey of 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is NUHDMUVMTWGWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-11-14(20)5-4-13(17(11)21)12-8-15-18(24-9-12)25(2)19(27)26(15)10-16-22-6-3-7-23-16/h3-9H,10H2,1-2H3.
What are the key properties of 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 367.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).