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

C20H15F3N4O — CID 134490036

IUPAC3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccn2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C20H15F3N4O/c1-26-18-17(27(19(26)28)12-16-7-2-3-8-24-16)10-14(11-25-18)13-5-4-6-15(9-13)20(21,22)23/h2-11H,12H2,1H3
InChIKeyCRHLQGHGFYHICQ-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.86
Rot. Bonds3

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

3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134490036) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
PubChem CID134490036
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccn2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C20H15F3N4O/c1-26-18-17(27(19(26)28)12-16-7-2-3-8-24-16)10-14(11-25-18)13-5-4-6-15(9-13)20(21,22)23/h2-11H,12H2,1H3
InChIKeyCRHLQGHGFYHICQ-UHFFFAOYSA-N
XLogP3.86
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (CID 134490036) is 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2ccccn2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is CRHLQGHGFYHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-26-18-17(27(19(26)28)12-16-7-2-3-8-24-16)10-14(11-25-18)13-5-4-6-15(9-13)20(21,22)23/h2-11H,12H2,1H3.
What are the key properties of 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 384.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).