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

• ChemBase ID: 623551
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: c1(c2c(n[nH]1)CCN(C2)Cc1nc(ncc1)CC)C(=O)NC
• Canonical SMILES: CNC(=O)c1[nH]nc2c1CN(CC2)Cc1ccnc(n1)CC
• InChI: InChI=1S/C15H20N6O/c1-3-13-17-6-4-10(18-13)8-21-7-5-12-11(9-21)14(20-19-12)15(22)16-2/h4,6H,3,5,7-9H2,1-2H3,(H,16,22)(H,19,20)
• InChIKey: AUMUJDLNEZFTJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.395932
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.03132864
• LogD (pH = 7.4): 0.3146616
• Log P: 0.3241305
• Molar Refractivity: 84.8785 cm^3
• Polarizability: 31.328148 Å^3
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -2.03
• LOG S: -0.97
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 4