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

C19H16FN5O — CID 134489949

IUPAC6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(-c2cnc3c(c2)n(Cc2cncnc2)c(=O)n3C)ccc1F
InChIInChI=1S/C19H16FN5O/c1-12-5-14(3-4-16(12)20)15-6-17-18(23-9-15)24(2)19(26)25(17)10-13-7-21-11-22-8-13/h3-9,11H,10H2,1-2H3
InChIKeyDOYVBJZTANGNFR-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.69
Rot. Bonds3

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

6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134489949) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134489949
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(-c2cnc3c(c2)n(Cc2cncnc2)c(=O)n3C)ccc1F
InChIInChI=1S/C19H16FN5O/c1-12-5-14(3-4-16(12)20)15-6-17-18(23-9-15)24(2)19(26)25(17)10-13-7-21-11-22-8-13/h3-9,11H,10H2,1-2H3
InChIKeyDOYVBJZTANGNFR-UHFFFAOYSA-N
XLogP2.69
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134489949) is 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cc1cc(-c2cnc3c(c2)n(Cc2cncnc2)c(=O)n3C)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is DOYVBJZTANGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12-5-14(3-4-16(12)20)15-6-17-18(23-9-15)24(2)19(26)25(17)10-13-7-21-11-22-8-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 349.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).