5-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-indazole-3-carboxamide

• ChemBase ID: 528538
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c1(n[nH]c2c1cc(cc2)OC)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: COc1ccc2c(c1)c(n[nH]2)C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H21N5O2/c1-11-16(14-5-6-20-8-12(14)9-21-11)10-22-19(25)18-15-7-13(26-2)3-4-17(15)23-24-18/h3-4,7,9,20H,5-6,8,10H2,1-2H3,(H,22,25)(H,23,24)
• InChIKey: ZJRQSZFDKKRFMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-indazole-3-carboxamide
• IUPAC Traditional name: 5-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-indazole-3-carboxamide
• Synonyms: 5-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.438966
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -2.1935434
• LogD (pH = 7.4): -0.6615943
• Log P: 0.501085
• Molar Refractivity: 99.7442 cm^3
• Polarizability: 38.53737 Å^3
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.42
• LOG S: -0.82
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 4