(1R,5R)-6-(cyclopropylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-3,6-diazabicyclo[3.2.2]nonane

• ChemBase ID: 485268
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n1c(onc1C)c1cnc(N2C[C@@H]3N(CC4CC4)C[C@H](C2)CC3)cc1
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)N1C[C@@H]2CC[C@H](C1)N(C2)CC1CC1
• InChI: InChI=1S/C19H25N5O/c1-13-21-19(25-22-13)16-5-7-18(20-8-16)24-11-15-4-6-17(12-24)23(10-15)9-14-2-3-14/h5,7-8,14-15,17H,2-4,6,9-12H2,1H3/t15-,17-/m1/s1
• InChIKey: UDXZBYMYRRTKSQ-NVXWUHKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6-(cyclopropylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-3,6-diazabicyclo[3.2.2]nonane
• IUPAC Traditional name: (1R,5R)-6-(cyclopropylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-3,6-diazabicyclo[3.2.2]nonane
• Synonyms: (1R*,5R*)-6-(cyclopropylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-3,6-diazabicyclo[3.2.2]nonane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.34609124
• LogD (pH = 7.4): 1.1310178
• Log P: 3.1004007
• Molar Refractivity: 108.7988 cm^3
• Polarizability: 37.316345 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.98
• LOG S: -3.21
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4