2-[cyclopropyl(4-{3-methylimidazo[1,5-a]pyridin-1-yl}-1H-1,2,3-triazol-1-yl)methyl]-4-methylpyridine

• ChemBase ID: 327929
• Molecular Formular: C20H20N6
• Molecular Mass: 344.413
• Monoisotopic Mass: 344.17494467
• SMILES: c1(c2nnn(c2)C(c2nccc(c2)C)C2CC2)nc(n2c1cccc2)C
• Canonical SMILES: Cc1ccnc(c1)C(n1nnc(c1)c1nc(n2c1cccc2)C)C1CC1
• InChI: InChI=1S/C20H20N6/c1-13-8-9-21-16(11-13)20(15-6-7-15)26-12-17(23-24-26)19-18-5-3-4-10-25(18)14(2)22-19/h3-5,8-12,15,20H,6-7H2,1-2H3
• InChIKey: LCCZVIKOBSFDDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclopropyl(4-{3-methylimidazo[1,5-a]pyridin-1-yl}-1H-1,2,3-triazol-1-yl)methyl]-4-methylpyridine
• IUPAC Traditional name: 2-[cyclopropyl(4-{3-methylimidazo[1,5-a]pyridin-1-yl}-1,2,3-triazol-1-yl)methyl]-4-methylpyridine
• Synonyms: 1-{1-[cyclopropyl(4-methylpyridin-2-yl)methyl]-1H-1,2,3-triazol-4-yl}-3-methylimidazo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8224099
• LogD (pH = 7.4): 2.998143
• Log P: 3.094608
• Molar Refractivity: 111.092 cm^3
• Polarizability: 39.659225 Å^3
• Polar Surface Area: 60.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.96
• LOG S: -2.08
• Polar Surface Area: 60.9 Å^2
• Rotatable Bonds: 4