N,2,2,6,6-pentamethyl-N-[6-(morpholin-4-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-amine

• ChemBase ID: 580584
• Molecular Formular: C18H29N7O2
• Molecular Mass: 375.46856
• Monoisotopic Mass: 375.2382732
• SMILES: c1(nc2c(nc1N1CCOCC1)non2)N(C1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: CN(c1nc2nonc2nc1N1CCOCC1)C1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C18H29N7O2/c1-17(2)10-12(11-18(3,4)23-17)24(5)15-16(25-6-8-26-9-7-25)20-14-13(19-15)21-27-22-14/h12,23H,6-11H2,1-5H3
• InChIKey: ZRYSDFSYIXKCPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,2,6,6-pentamethyl-N-[6-(morpholin-4-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-amine
• IUPAC Traditional name: N,2,2,6,6-pentamethyl-N-[6-(morpholin-4-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-amine
• Synonyms: N-methyl-6-(4-morpholinyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -1.4686323
• LogD (pH = 7.4): -1.0002156
• Log P: 1.7624967
• Molar Refractivity: 107.7957 cm^3
• Polarizability: 38.73431 Å^3
• Polar Surface Area: 92.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 4.03
• LOG S: -2.83
• Polar Surface Area: 92.44 Å^2
• Rotatable Bonds: 3