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

• ChemBase ID: 473795
• Molecular Formular: C20H18N6O
• Molecular Mass: 358.39652
• Monoisotopic Mass: 358.15420923
• SMILES: n12c(c(cn1)CNc1cc(C(=O)NCc3ncccc3)ncc1)cccc2
• Canonical SMILES: O=C(c1nccc(c1)NCc1cnn2c1cccc2)NCc1ccccn1
• InChI: InChI=1S/C20H18N6O/c27-20(24-14-17-5-1-3-8-21-17)18-11-16(7-9-22-18)23-12-15-13-25-26-10-4-2-6-19(15)26/h1-11,13H,12,14H2,(H,22,23)(H,24,27)
• InChIKey: JTIAQWJEVFGGDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
• IUPAC Traditional name: 4-({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
• Synonyms: 4-[(pyrazolo[1,5-a]pyridin-3-ylmethyl)amino]-N-(2-pyridinylmethyl)-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.437352
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4389464
• LogD (pH = 7.4): 1.5299413
• Log P: 1.5312011
• Molar Refractivity: 114.164 cm^3
• Polarizability: 38.990124 Å^3
• Polar Surface Area: 84.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.07
• LOG S: -2.28
• Polar Surface Area: 84.21 Å^2
• Rotatable Bonds: 6