(1R,5R)-N,N-dimethyl-6-{pyrazolo[1,5-a]pyridine-3-carbonyl}-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

• ChemBase ID: 649790
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c1(C(=O)N2[C@H]3CN(C(=O)N(C)C)C[C@@H](C2)CC3)c2n(nc1)cccc2
• Canonical SMILES: O=C(N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)c1cnn2c1cccc2)N(C)C
• InChI: InChI=1S/C18H23N5O2/c1-20(2)18(25)21-10-13-6-7-14(12-21)22(11-13)17(24)15-9-19-23-8-4-3-5-16(15)23/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3/t13-,14+/m0/s1
• InChIKey: XHYXISCXOYRXQC-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-{pyrazolo[1,5-a]pyridine-3-carbonyl}-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-{pyrazolo[1,5-a]pyridine-3-carbonyl}-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.559071
• LogD (pH = 7.4): 0.559082
• Log P: 0.5590821
• Molar Refractivity: 105.4625 cm^3
• Polarizability: 36.106304 Å^3
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.46
• LOG S: -2.08
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 1