1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR’, where R and R’ are aryl groups.

Diarylethers

Organic compounds

Organooxygen compounds

Ethers

Diarylethers

Calculated Property

kind Value Source
logP 4.31 ALOGPS
logS -5.4 ALOGPS
Water Solubility 1.73e-03 g/l ALOGPS
logP 3.95 ChemAxon
IUPAC Name N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide ChemAxon
Traditional IUPAC Name N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide ChemAxon
Molecular Weight 458.4163 ChemAxon
Monoisotopic Weight 458.119046808 ChemAxon
SMILES FC1=CC=C(C=C1)N1C=CC=C(C(=O)NC2=CC=C(OC3=CC=NC4=C3C=CN4)C(F)=C2)C1=O ChemAxon
Molecular Formula C25H16F2N4O3 ChemAxon
InChI InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32) ChemAxon
InChIKey InChIKey=OBSFXHDOLBYWRJ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 87.32 ChemAxon
Refractivity 122.63 ChemAxon
Polarizability 44.85 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 13.1 ChemAxon
pKa (strongest basic) 5.02 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 5 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Hepatocyte growth factor receptor : in Human