4-(2,6-dimethylpyridin-4-yl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide

• ChemBase ID: 575936
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: C(=O)(N1CCN(c2cc(nc(c2)C)C)CC1)Nc1c2[nH]ncc2ccc1
• Canonical SMILES: O=C(N1CCN(CC1)c1cc(C)nc(c1)C)Nc1cccc2c1[nH]nc2
• InChI: InChI=1S/C19H22N6O/c1-13-10-16(11-14(2)21-13)24-6-8-25(9-7-24)19(26)22-17-5-3-4-15-12-20-23-18(15)17/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)(H,22,26)
• InChIKey: VGLIBEQPSTZAFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethylpyridin-4-yl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide
• IUPAC Traditional name: 4-(2,6-dimethylpyridin-4-yl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide
• Synonyms: 4-(2,6-dimethylpyridin-4-yl)-N-1H-indazol-7-ylpiperazine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.512379
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.48030123
• LogD (pH = 7.4): -0.18128552
• Log P: 1.2338791
• Molar Refractivity: 102.9809 cm^3
• Polarizability: 38.812534 Å^3
• Polar Surface Area: 77.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.64
• LOG S: -3.16
• Polar Surface Area: 77.15 Å^2
• Rotatable Bonds: 2