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

• ChemBase ID: 349665
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c12c(nn(c1CCN(C2)Cc1occc1)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1ccco1)CC1CC1
• InChI: InChI=1S/C18H24N4O2/c1-2-19-18(23)17-15-12-21(11-14-4-3-9-24-14)8-7-16(15)22(20-17)10-13-5-6-13/h3-4,9,13H,2,5-8,10-12H2,1H3,(H,19,23)
• InChIKey: MUJLJIUSORCHLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-ethyl-5-(furan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-ethyl-5-(furan-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-ethyl-5-(2-furylmethyl)-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): 0.24940927
• LogD (pH = 7.4): 1.380099
• Log P: 1.4559625
• Molar Refractivity: 104.0988 cm^3
• Polarizability: 34.771465 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: 1.88
• LOG S: -3.57
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5