N-(1H-indazol-6-yl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 461274
• Molecular Formular: C17H21N5O2
• Molecular Mass: 327.38094
• Monoisotopic Mass: 327.16952494
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)Nc2cc3[nH]ncc3cc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C17H21N5O2/c1-21-7-2-5-17(15(21)23)6-8-22(11-17)16(24)19-13-4-3-12-10-18-20-14(12)9-13/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,20)(H,19,24)
• InChIKey: DDZGVSFRTRLHFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-6-yl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(1H-indazol-6-yl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-1H-indazol-6-yl-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.825678
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5997123
• LogD (pH = 7.4): 0.59971756
• Log P: 0.5997337
• Molar Refractivity: 92.0191 cm^3
• Polarizability: 35.138954 Å^3
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.58
• LOG S: -2.08
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 1