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

• ChemBase ID: 500873
• Molecular Formular: C23H24FN5O2S
• Molecular Mass: 453.5323632
• Monoisotopic Mass: 453.16347425
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1c(F)cccc1)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CN(CC2)C(=O)c1ccccc1F)CC1CC1)Cc1cscn1
• InChI: InChI=1S/C23H24FN5O2S/c1-27(11-16-13-32-14-25-16)23(31)21-18-12-28(22(30)17-4-2-3-5-19(17)24)9-8-20(18)29(26-21)10-15-6-7-15/h2-5,13-15H,6-12H2,1H3
• InChIKey: CZPFZCLFKYSKIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2264752
• LogD (pH = 7.4): 2.2266176
• Log P: 2.2266192
• Molar Refractivity: 131.7003 cm^3
• Polarizability: 44.564262 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.9
• LOG S: -4.88
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6