1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

C15H13F2N3O — CID 58863137

IUPAC1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21
InChIInChI=1S/C15H13F2N3O/c1-9(2)19-14-13(4-3-5-18-14)20(15(19)21)12-7-10(16)6-11(17)8-12/h3-9H,1-2H3
InChIKeyNSUBSSMDTRDNPE-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.05
Rot. Bonds2

About 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 58863137) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
PubChem CID58863137
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21
InChIInChI=1S/C15H13F2N3O/c1-9(2)19-14-13(4-3-5-18-14)20(15(19)21)12-7-10(16)6-11(17)8-12/h3-9H,1-2H3
InChIKeyNSUBSSMDTRDNPE-UHFFFAOYSA-N
XLogP3.05
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (CID 58863137) is 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is CC(C)n1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is NSUBSSMDTRDNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-9(2)19-14-13(4-3-5-18-14)20(15(19)21)12-7-10(16)6-11(17)8-12/h3-9H,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 289.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58863137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).