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

C19H14F3N5O2 — CID 134490144

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2cccnn2)c2cc(-c3ccc(F)c(OC(F)F)c3)cnc21
InChIInChI=1S/C19H14F3N5O2/c1-26-17-15(27(19(26)28)10-13-3-2-6-24-25-13)7-12(9-23-17)11-4-5-14(20)16(8-11)29-18(21)22/h2-9,18H,10H2,1H3
InChIKeySQDUXNSZELCFMR-UHFFFAOYSA-N
MW401.35 g/mol
LogP2.98
Rot. Bonds5

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

6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134490144) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134490144
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2cccnn2)c2cc(-c3ccc(F)c(OC(F)F)c3)cnc21
InChIInChI=1S/C19H14F3N5O2/c1-26-17-15(27(19(26)28)10-13-3-2-6-24-25-13)7-12(9-23-17)11-4-5-14(20)16(8-11)29-18(21)22/h2-9,18H,10H2,1H3
InChIKeySQDUXNSZELCFMR-UHFFFAOYSA-N
XLogP2.98
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134490144) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2cccnn2)c2cc(-c3ccc(F)c(OC(F)F)c3)cnc21.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is SQDUXNSZELCFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-26-17-15(27(19(26)28)10-13-3-2-6-24-25-13)7-12(9-23-17)11-4-5-14(20)16(8-11)29-18(21)22/h2-9,18H,10H2,1H3.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 401.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).