1-(cyclopropylmethyl)-N-ethyl-5-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 342389
• Molecular Formular: C24H33N5O
• Molecular Mass: 407.55172
• Monoisotopic Mass: 407.2685107
• SMILES: c12c(nn(c1CCN(C2)Cc1cc2c(N(CCC2)C)cc1)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1ccc2c(c1)CCCN2C)CC1CC1
• InChI: InChI=1S/C24H33N5O/c1-3-25-24(30)23-20-16-28(12-10-22(20)29(26-23)15-17-6-7-17)14-18-8-9-21-19(13-18)5-4-11-27(21)2/h8-9,13,17H,3-7,10-12,14-16H2,1-2H3,(H,25,30)
• InChIKey: UOUWCBBXUPMYAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-ethyl-5-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-ethyl-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-ethyl-5-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118092
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1619875
• LogD (pH = 7.4): 2.7313027
• Log P: 2.9882169
• Molar Refractivity: 134.0471 cm^3
• Polarizability: 45.588562 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.53
• LOG S: -5.86
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 5