N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 619537
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: c1(n2c(nc1C)nccc2)C(=O)NCCN1c2c(CC1)cccc2
• Canonical SMILES: O=C(c1c(C)nc2n1cccn2)NCCN1CCc2c1cccc2
• InChI: InChI=1S/C18H19N5O/c1-13-16(23-10-4-8-20-18(23)21-13)17(24)19-9-12-22-11-7-14-5-2-3-6-15(14)22/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,24)
• InChIKey: DPCGTLGPFTZMKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.7914
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8752372
• LogD (pH = 7.4): 0.8825419
• Log P: 0.8826358
• Molar Refractivity: 95.0609 cm^3
• Polarizability: 34.310043 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.88
• LOG S: -3.15
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4