N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 524460
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCC1(Cn2nc(cc2C)C)CC1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCC1(CC1)Cn1nc(cc1C)C
• InChI: InChI=1S/C23H30N4O/c1-14-8-15(2)22-20(9-14)19(18(5)25-22)11-21(28)24-12-23(6-7-23)13-27-17(4)10-16(3)26-27/h8-10,25H,6-7,11-13H2,1-5H3,(H,24,28)
• InChIKey: OVMFSDDQECPPCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.869136
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4782917
• LogD (pH = 7.4): 3.4812768
• Log P: 3.4813151
• Molar Refractivity: 124.9592 cm^3
• Polarizability: 44.13362 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.38
• LOG S: -4.85
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 6