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

• ChemBase ID: 738083
• Molecular Formular: C20H30N4O
• Molecular Mass: 342.4784
• Monoisotopic Mass: 342.2419616
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N(CC1CC1)CCC1=CCCCC1
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N(CC1CC1)CCC1=CCCCC1
• InChI: InChI=1S/C20H30N4O/c1-23-11-10-18-17(14-23)19(22-21-18)20(25)24(13-16-7-8-16)12-9-15-5-3-2-4-6-15/h5,16H,2-4,6-14H2,1H3,(H,21,22)
• InChIKey: LIQKYEODYZUUMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.904482
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9144951
• LogD (pH = 7.4): 2.322257
• Log P: 2.4897535
• Molar Refractivity: 103.3004 cm^3
• Polarizability: 38.45827 Å^3
• Polar Surface Area: 52.23 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: 2.01
• LOG S: -3.41
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 6