N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 843659
• Molecular Formular: C15H21N5OS
• Molecular Mass: 319.42514
• Monoisotopic Mass: 319.14668132
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N(CCc1c(ncs1)C)C
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N(CCc1scnc1C)C
• InChI: InChI=1S/C15H21N5OS/c1-10-13(22-9-16-10)5-7-20(3)15(21)14-11-8-19(2)6-4-12(11)17-18-14/h9H,4-8H2,1-3H3,(H,17,18)
• InChIKey: MRFZSVVCKLRMID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.923963
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.006071
• LogD (pH = 7.4): 0.40212536
• Log P: 0.5695942
• Molar Refractivity: 89.1474 cm^3
• Polarizability: 32.74898 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.94
• LOG S: -2.03
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 4