1-benzyl-5-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 380565
• Molecular Formular: C23H26N4O2
• Molecular Mass: 390.47814
• Monoisotopic Mass: 390.20557609
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)C/C=C/c1occc1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CN(C/C=C/c1ccco1)CC2)Cc1ccccc1)C
• InChI: InChI=1S/C23H26N4O2/c1-25(2)23(28)22-20-17-26(13-6-10-19-11-7-15-29-19)14-12-21(20)27(24-22)16-18-8-4-3-5-9-18/h3-11,15H,12-14,16-17H2,1-2H3/b10-6+
• InChIKey: ZMWYRYYXVZTFHX-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-benzyl-5-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-N,N-dimethyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-benzyl-5-[(2E)-3-(2-furyl)-2-propen-1-yl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8526094
• LogD (pH = 7.4): 2.8271039
• Log P: 2.8766422
• Molar Refractivity: 127.2361 cm^3
• Polarizability: 43.07194 Å^3
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.44
• LOG S: -4.14
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 6