2-[3-(pyridin-4-yl)azetidin-1-yl]-6-(pyrrolidine-1-carbonyl)pyrazine

• ChemBase ID: 559599
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: N1(c2nc(C(=O)N3CCCC3)cnc2)CC(C1)c1ccncc1
• Canonical SMILES: O=C(c1cncc(n1)N1CC(C1)c1ccncc1)N1CCCC1
• InChI: InChI=1S/C17H19N5O/c23-17(21-7-1-2-8-21)15-9-19-10-16(20-15)22-11-14(12-22)13-3-5-18-6-4-13/h3-6,9-10,14H,1-2,7-8,11-12H2
• InChIKey: ONGAWMUHZPVGAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(pyridin-4-yl)azetidin-1-yl]-6-(pyrrolidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-[3-(pyridin-4-yl)azetidin-1-yl]-6-(pyrrolidine-1-carbonyl)pyrazine
• Synonyms: 2-[3-(4-pyridinyl)-1-azetidinyl]-6-(1-pyrrolidinylcarbonyl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.42787185
• LogD (pH = 7.4): 0.6108297
• Log P: 0.6139325
• Molar Refractivity: 87.778 cm^3
• Polarizability: 32.576244 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.1
• LOG S: -1.55
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3