6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline

• ChemBase ID: 312718
• Molecular Formular: C20H16N6
• Molecular Mass: 340.38124
• Monoisotopic Mass: 340.14364454
• SMILES: c1c(nn2c(c1)ncc2Cc1ccc2c(c1)cccn2)c1cnn(c1)C
• Canonical SMILES: Cn1ncc(c1)c1ccc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2
• InChI: InChI=1S/C20H16N6/c1-25-13-16(11-23-25)19-6-7-20-22-12-17(26(20)24-19)10-14-4-5-18-15(9-14)3-2-8-21-18/h2-9,11-13H,10H2,1H3
• InChIKey: RNCNPRCUHHDYPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
• IUPAC Traditional name: 6-{[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
• Synonyms: NVP-BVU972

Database IDs

• CAS Number: 1185763-69-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0767064
• LogD (pH = 7.4): 3.1267796
• Log P: 3.1274507
• Molar Refractivity: 121.1312 cm^3
• Polarizability: 39.946056 Å^3
• Polar Surface Area: 60.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: c-Met

Product Information

• Salt Data: Free Base