2-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 862161
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: c1(nc(N2CC3(CC2)CNCCC3)cnc1)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1cncc(n1)N1CCC2(C1)CCCNC2)N1CCCC1
• InChI: InChI=1S/C17H25N5O/c23-16(21-7-1-2-8-21)14-10-19-11-15(20-14)22-9-5-17(13-22)4-3-6-18-12-17/h10-11,18H,1-9,12-13H2
• InChIKey: DTQFAJRPNBDBKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[6-(pyrrolidin-1-ylcarbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7274835
• LogD (pH = 7.4): -2.0760486
• Log P: 0.49477693
• Molar Refractivity: 90.014 cm^3
• Polarizability: 33.963737 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.53
• LOG S: -1.95
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 2