N-[1-(pyrazin-2-yl)piperidin-3-yl]-1H-indazole-3-carboxamide

• ChemBase ID: 483085
• Molecular Formular: C17H18N6O
• Molecular Mass: 322.36442
• Monoisotopic Mass: 322.15420923
• SMILES: c1(n[nH]c2c1cccc2)C(=O)NC1CN(c2nccnc2)CCC1
• Canonical SMILES: O=C(c1n[nH]c2c1cccc2)NC1CCCN(C1)c1cnccn1
• InChI: InChI=1S/C17H18N6O/c24-17(16-13-5-1-2-6-14(13)21-22-16)20-12-4-3-9-23(11-12)15-10-18-7-8-19-15/h1-2,5-8,10,12H,3-4,9,11H2,(H,20,24)(H,21,22)
• InChIKey: OVNRDVYTAJOBDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyrazin-2-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-[1-(pyrazin-2-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
• Synonyms: N-(1-pyrazin-2-ylpiperidin-3-yl)-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.223049
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.290726
• LogD (pH = 7.4): 1.2845957
• Log P: 1.2909163
• Molar Refractivity: 91.4047 cm^3
• Polarizability: 34.9038 Å^3
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.83
• LOG S: -2.26
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 3