7-(cyclopropylmethyl)-2-{[1-(pyridin-3-yl)-1H-pyrrol-2-yl]methyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 850515
• Molecular Formular: C22H30N4
• Molecular Mass: 350.5004
• Monoisotopic Mass: 350.24704698
• SMILES: n1(c(CN2CC3(CN(CC4CC4)CCC3)CC2)ccc1)c1cnccc1
• Canonical SMILES: c1ccc(cn1)n1cccc1CN1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C22H30N4/c1-4-20(14-23-10-1)26-12-2-5-21(26)16-25-13-9-22(18-25)8-3-11-24(17-22)15-19-6-7-19/h1-2,4-5,10,12,14,19H,3,6-9,11,13,15-18H2
• InChIKey: SBJCTYASCIUZAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-{[1-(pyridin-3-yl)-1H-pyrrol-2-yl]methyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-{[1-(pyridin-3-yl)pyrrol-2-yl]methyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclopropylmethyl)-2-{[1-(3-pyridinyl)-1H-pyrrol-2-yl]methyl}-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.585237
• LogD (pH = 7.4): -0.23713511
• Log P: 2.9068494
• Molar Refractivity: 116.7973 cm^3
• Polarizability: 42.271633 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.6
• LOG S: -2.27
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5