1-[(1-methyl-1H-indol-6-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 641732
• Molecular Formular: C23H29N5
• Molecular Mass: 375.50986
• Monoisotopic Mass: 375.24229595
• SMILES: N1(C2(CCN(c3nnc(cc3)C)CC2)CCC1)Cc1cc2n(ccc2cc1)C
• Canonical SMILES: Cc1ccc(nn1)N1CCC2(CC1)CCCN2Cc1ccc2c(c1)n(C)cc2
• InChI: InChI=1S/C23H29N5/c1-18-4-7-22(25-24-18)27-14-10-23(11-15-27)9-3-12-28(23)17-19-5-6-20-8-13-26(2)21(20)16-19/h4-8,13,16H,3,9-12,14-15,17H2,1-2H3
• InChIKey: ZTZYUHGJJVUTQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-methyl-1H-indol-6-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-[(1-methylindol-6-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 1-[(1-methyl-1H-indol-6-yl)methyl]-8-(6-methyl-3-pyridazinyl)-1,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.43401286
• LogD (pH = 7.4): 0.72616994
• Log P: 3.0129585
• Molar Refractivity: 116.5755 cm^3
• Polarizability: 44.691277 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -3.48
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 3