[3-(1H-indazol-1-yl)propyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 846416
• Molecular Formular: C25H30N6O
• Molecular Mass: 430.5453
• Monoisotopic Mass: 430.24810961
• SMILES: c1(nc2n(c1CNCCCn1ncc3c1cccc3)cccc2C)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCCn1ncc3c1cccc3)cccc2C)N1CCCCC1
• InChI: InChI=1S/C25H30N6O/c1-19-9-7-15-30-22(23(28-24(19)30)25(32)29-13-5-2-6-14-29)18-26-12-8-16-31-21-11-4-3-10-20(21)17-27-31/h3-4,7,9-11,15,17,26H,2,5-6,8,12-14,16,18H2,1H3
• InChIKey: JMARUNDORNWCPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(1H-indazol-1-yl)propyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [3-(indazol-1-yl)propyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 3-(1H-indazol-1-yl)-N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.35411918
• LogD (pH = 7.4): 1.226737
• Log P: 2.5939481
• Molar Refractivity: 138.9304 cm^3
• Polarizability: 49.0953 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.06
• LOG S: -5.7
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 7