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

• ChemBase ID: 737271
• Molecular Formular: C24H29N5OS
• Molecular Mass: 435.58496
• Monoisotopic Mass: 435.20928157
• SMILES: c12c(nn(c1CCN(C2)CCCc1ccccc1)CC1CC1)C(=O)NCc1nccs1
• Canonical SMILES: O=C(c1nn(c2c1CN(CCCc1ccccc1)CC2)CC1CC1)NCc1nccs1
• InChI: InChI=1S/C24H29N5OS/c30-24(26-15-22-25-11-14-31-22)23-20-17-28(12-4-7-18-5-2-1-3-6-18)13-10-21(20)29(27-23)16-19-8-9-19/h1-3,5-6,11,14,19H,4,7-10,12-13,15-17H2,(H,26,30)
• InChIKey: CYHJJSCRFMPTHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.815437
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7753263
• LogD (pH = 7.4): 2.537988
• Log P: 3.22857
• Molar Refractivity: 135.4633 cm^3
• Polarizability: 47.030823 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.42
• LOG S: -6.13
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 9