N-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine

• ChemBase ID: 381187
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1([nH]c2c(c1C)cc(cc2)OC)CN(C1CC1)Cc1cn(nc1)C
• Canonical SMILES: COc1ccc2c(c1)c(C)c([nH]2)CN(C1CC1)Cc1cnn(c1)C
• InChI: InChI=1S/C19H24N4O/c1-13-17-8-16(24-3)6-7-18(17)21-19(13)12-23(15-4-5-15)11-14-9-20-22(2)10-14/h6-10,15,21H,4-5,11-12H2,1-3H3
• InChIKey: CIBWERLLPXKCES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
• Synonyms: N-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.042236
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.57722205
• LogD (pH = 7.4): 2.3195937
• Log P: 2.9070535
• Molar Refractivity: 107.7963 cm^3
• Polarizability: 37.998333 Å^3
• Polar Surface Area: 46.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.46
• LOG S: -2.66
• Polar Surface Area: 46.08 Å^2
• Rotatable Bonds: 6