N-[1-methyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 629144
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: c1(c2c(n(n1)C)cccc2N1CCOCC1)NC(=O)c1c[nH]c(=O)cc1
• Canonical SMILES: O=c1ccc(c[nH]1)C(=O)Nc1nn(c2c1c(ccc2)N1CCOCC1)C
• InChI: InChI=1S/C18H19N5O3/c1-22-13-3-2-4-14(23-7-9-26-10-8-23)16(13)17(21-22)20-18(25)12-5-6-15(24)19-11-12/h2-6,11H,7-10H2,1H3,(H,19,24)(H,20,21,25)
• InChIKey: MQUNXOGRVIPHSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-methyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[1-methyl-4-(morpholin-4-yl)indazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-(1-methyl-4-morpholin-4-yl-1H-indazol-3-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.872218
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.81694305
• LogD (pH = 7.4): 0.81682307
• Log P: 0.8169565
• Molar Refractivity: 111.3695 cm^3
• Polarizability: 37.12103 Å^3
• Polar Surface Area: 88.49 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: 0.05
• LOG S: -3.13
• Polar Surface Area: 92.25 Å^2
• Rotatable Bonds: 3