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

• ChemBase ID: 541536
• Molecular Formular: C20H23N5O2S
• Molecular Mass: 397.49392
• Monoisotopic Mass: 397.157246
• SMILES: c12c(nn(c1CCN(C2)Cc1occc1)CC1CC1)C(=O)NCc1nccs1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1ccco1)CC1CC1)NCc1nccs1
• InChI: InChI=1S/C20H23N5O2S/c26-20(22-10-18-21-6-9-28-18)19-16-13-24(12-15-2-1-8-27-15)7-5-17(16)25(23-19)11-14-3-4-14/h1-2,6,8-9,14H,3-5,7,10-13H2,(H,22,26)
• InChIKey: KCWPTOPXAJKPTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(2-furylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.815323
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3489522
• LogD (pH = 7.4): 1.4797406
• Log P: 1.5555869
• Molar Refractivity: 118.4982 cm^3
• Polarizability: 40.33634 Å^3
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.89
• LOG S: -4.3
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 7