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

C19H13F3N4O — CID 134493719

IUPAC1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1ccccn1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)14-5-3-4-12(8-14)13-9-16-17(24-10-13)25-18(27)26(16)11-15-6-1-2-7-23-15/h1-10H,11H2,(H,24,25,27)
InChIKeyGMMUMEIMIBUWOT-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.85
Rot. Bonds3

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

1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493719) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493719
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1ccccn1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)14-5-3-4-12(8-14)13-9-16-17(24-10-13)25-18(27)26(16)11-15-6-1-2-7-23-15/h1-10H,11H2,(H,24,25,27)
InChIKeyGMMUMEIMIBUWOT-UHFFFAOYSA-N
XLogP3.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493719) is 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GMMUMEIMIBUWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)14-5-3-4-12(8-14)13-9-16-17(24-10-13)25-18(27)26(16)11-15-6-1-2-7-23-15/h1-10H,11H2,(H,24,25,27).
What are the key properties of 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 370.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).