N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 339557
• Molecular Formular: C22H22N6
• Molecular Mass: 370.45028
• Monoisotopic Mass: 370.19059473
• SMILES: n12c(nc(c1)CNc1nc(nc3c1CCNC3)c1ccccc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CNc1nc(nc2c1CCNC2)c1ccccc1
• InChI: InChI=1S/C22H22N6/c1-15-7-8-20-25-17(14-28(20)13-15)11-24-22-18-9-10-23-12-19(18)26-21(27-22)16-5-3-2-4-6-16/h2-8,13-14,23H,9-12H2,1H3,(H,24,26,27)
• InChIKey: HRUVAVQCSWWJRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.792744
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.33852547
• LogD (pH = 7.4): 2.821752
• Log P: 3.6491203
• Molar Refractivity: 123.6861 cm^3
• Polarizability: 42.36204 Å^3
• Polar Surface Area: 67.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.01
• LOG S: -2.61
• Polar Surface Area: 67.14 Å^2
• Rotatable Bonds: 4