2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid

C16H12F3N3O4 — CID 134489925

IUPAC2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
SMILESCn1c(=O)n(CC(=O)O)c2cc(-c3ccc(F)c(OC(F)F)c3)cnc21
InChIInChI=1S/C16H12F3N3O4/c1-21-14-11(22(16(21)25)7-13(23)24)4-9(6-20-14)8-2-3-10(17)12(5-8)26-15(18)19/h2-6,15H,7H2,1H3,(H,23,24)
InChIKeyXWAAJXJWPGELQV-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.23
Rot. Bonds5

About 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid

2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid (PubChem CID 134489925) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
PubChem CID134489925
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28 g/mol
Exact Mass367.08
IUPAC Name2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
SMILESCn1c(=O)n(CC(=O)O)c2cc(-c3ccc(F)c(OC(F)F)c3)cnc21
InChIInChI=1S/C16H12F3N3O4/c1-21-14-11(22(16(21)25)7-13(23)24)4-9(6-20-14)8-2-3-10(17)12(5-8)26-15(18)19/h2-6,15H,7H2,1H3,(H,23,24)
InChIKeyXWAAJXJWPGELQV-UHFFFAOYSA-N
XLogP2.23
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid (CID 134489925) is 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid is Cn1c(=O)n(CC(=O)O)c2cc(-c3ccc(F)c(OC(F)F)c3)cnc21.
What is the InChIKey of 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid?
The InChIKey is XWAAJXJWPGELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c1-21-14-11(22(16(21)25)7-13(23)24)4-9(6-20-14)8-2-3-10(17)12(5-8)26-15(18)19/h2-6,15H,7H2,1H3,(H,23,24).
What are the key properties of 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid?
2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid has a molecular weight of 367.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 134489925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).