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

C19H14F2N4O — CID 134489957

IUPAC6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccncc2)c2cc(-c3ccc(F)c(F)c3)cnc21
InChIInChI=1S/C19H14F2N4O/c1-24-18-17(25(19(24)26)11-12-4-6-22-7-5-12)9-14(10-23-18)13-2-3-15(20)16(21)8-13/h2-10H,11H2,1H3
InChIKeyFAVYQOQETWBATC-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.12
Rot. Bonds3

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

6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134489957) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134489957
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccncc2)c2cc(-c3ccc(F)c(F)c3)cnc21
InChIInChI=1S/C19H14F2N4O/c1-24-18-17(25(19(24)26)11-12-4-6-22-7-5-12)9-14(10-23-18)13-2-3-15(20)16(21)8-13/h2-10H,11H2,1H3
InChIKeyFAVYQOQETWBATC-UHFFFAOYSA-N
XLogP3.12
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134489957) is 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2ccncc2)c2cc(-c3ccc(F)c(F)c3)cnc21.
What is the InChIKey of 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is FAVYQOQETWBATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-24-18-17(25(19(24)26)11-12-4-6-22-7-5-12)9-14(10-23-18)13-2-3-15(20)16(21)8-13/h2-10H,11H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 352.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).