6-({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)-N-[3-(pyridin-2-yl)propyl]pyridine-3-carboxamide

• ChemBase ID: 482586
• Molecular Formular: C22H22N6O
• Molecular Mass: 386.44968
• Monoisotopic Mass: 386.18550935
• SMILES: n12c(c(cn1)CNc1ncc(C(=O)NCCCc3ncccc3)cc1)cccc2
• Canonical SMILES: O=C(c1ccc(nc1)NCc1cnn2c1cccc2)NCCCc1ccccn1
• InChI: InChI=1S/C22H22N6O/c29-22(24-12-5-7-19-6-1-3-11-23-19)17-9-10-21(25-14-17)26-15-18-16-27-28-13-4-2-8-20(18)28/h1-4,6,8-11,13-14,16H,5,7,12,15H2,(H,24,29)(H,25,26)
• InChIKey: KWTVZNAYFXVAND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)-N-[3-(pyridin-2-yl)propyl]pyridine-3-carboxamide
• IUPAC Traditional name: 6-({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)-N-[3-(pyridin-2-yl)propyl]pyridine-3-carboxamide
• Synonyms: 6-[(pyrazolo[1,5-a]pyridin-3-ylmethyl)amino]-N-(3-pyridin-2-ylpropyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.634016
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.098307
• LogD (pH = 7.4): 2.2630985
• Log P: 2.2654822
• Molar Refractivity: 124.3039 cm^3
• Polarizability: 42.675137 Å^3
• Polar Surface Area: 84.21 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.9
• LOG S: -3.19
• Polar Surface Area: 84.21 Å^2
• Rotatable Bonds: 8