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

C20H17FN4O — CID 134490060

IUPAC6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cccc(-c2cnc3c(c2)n(Cc2cccnc2)c(=O)n3C)c1F
InChIInChI=1S/C20H17FN4O/c1-13-5-3-7-16(18(13)21)15-9-17-19(23-11-15)24(2)20(26)25(17)12-14-6-4-8-22-10-14/h3-11H,12H2,1-2H3
InChIKeyGHPDPJKWJZBLNB-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.29
Rot. Bonds3

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

6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134490060) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134490060
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cccc(-c2cnc3c(c2)n(Cc2cccnc2)c(=O)n3C)c1F
InChIInChI=1S/C20H17FN4O/c1-13-5-3-7-16(18(13)21)15-9-17-19(23-11-15)24(2)20(26)25(17)12-14-6-4-8-22-10-14/h3-11H,12H2,1-2H3
InChIKeyGHPDPJKWJZBLNB-UHFFFAOYSA-N
XLogP3.29
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134490060) is 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cc1cccc(-c2cnc3c(c2)n(Cc2cccnc2)c(=O)n3C)c1F.
What is the InChIKey of 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is GHPDPJKWJZBLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-5-3-7-16(18(13)21)15-9-17-19(23-11-15)24(2)20(26)25(17)12-14-6-4-8-22-10-14/h3-11H,12H2,1-2H3.
What are the key properties of 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 348.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).