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

• ChemBase ID: 532173
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c12c(nn(c1CCN(C2)Cc1oc(cc1)C)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1ccc(o1)C)CC1CC1
• InChI: InChI=1S/C19H26N4O2/c1-3-20-19(24)18-16-12-22(11-15-7-4-13(2)25-15)9-8-17(16)23(21-18)10-14-5-6-14/h4,7,14H,3,5-6,8-12H2,1-2H3,(H,20,24)
• InChIKey: LZNJRPJHZHEHNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.11808
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31164187
• LogD (pH = 7.4): 1.552727
• Log P: 1.6555238
• Molar Refractivity: 109.2485 cm^3
• Polarizability: 36.53392 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.38
• LOG S: -4.36
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5