1-(cyclopropylmethyl)-5-(9H-fluoren-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 685692
• Molecular Formular: C29H29N5OS
• Molecular Mass: 495.63846
• Monoisotopic Mass: 495.20928157
• SMILES: c12c(nn(c1CCN(C2)Cc1cc2c(c3c(C2)cccc3)cc1)CC1CC1)C(=O)NCc1nccs1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1ccc2c(c1)Cc1c2cccc1)CC1CC1)NCc1nccs1
• InChI: InChI=1S/C29H29N5OS/c35-29(31-15-27-30-10-12-36-27)28-25-18-33(11-9-26(25)34(32-28)17-19-5-6-19)16-20-7-8-24-22(13-20)14-21-3-1-2-4-23(21)24/h1-4,7-8,10,12-13,19H,5-6,9,11,14-18H2,(H,31,35)
• InChIKey: HUXYOSJEWPALNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-(9H-fluoren-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-(9H-fluoren-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(9H-fluoren-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.815279
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4083698
• LogD (pH = 7.4): 3.9815218
• Log P: 4.2611136
• Molar Refractivity: 154.9227 cm^3
• Polarizability: 55.396225 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.65
• LOG S: -7.48
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7