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

C19H14F2N4O — CID 134494050

IUPAC6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)F)c3)cc2n1Cc1ccccn1
InChIInChI=1S/C19H14F2N4O/c20-17(21)13-5-3-4-12(8-13)14-9-16-18(23-10-14)24-19(26)25(16)11-15-6-1-2-7-22-15/h1-10,17H,11H2,(H,23,24,26)
InChIKeyBLTUAIMDQSBZLW-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.77
Rot. Bonds4

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

6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134494050) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134494050
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)F)c3)cc2n1Cc1ccccn1
InChIInChI=1S/C19H14F2N4O/c20-17(21)13-5-3-4-12(8-13)14-9-16-18(23-10-14)24-19(26)25(16)11-15-6-1-2-7-22-15/h1-10,17H,11H2,(H,23,24,26)
InChIKeyBLTUAIMDQSBZLW-UHFFFAOYSA-N
XLogP3.77
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134494050) is 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cccc(C(F)F)c3)cc2n1Cc1ccccn1.
What is the InChIKey of 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BLTUAIMDQSBZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c20-17(21)13-5-3-4-12(8-13)14-9-16-18(23-10-14)24-19(26)25(16)11-15-6-1-2-7-22-15/h1-10,17H,11H2,(H,23,24,26).
What are the key properties of 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 352.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134494050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).