(2S,4S)-4-amino-N-ethyl-1-{pyrazolo[1,5-a]pyridine-2-carbonyl}pyrrolidine-2-carboxamide

• ChemBase ID: 480326
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c1(nn2c(c1)cccc2)C(=O)N1[C@H](C(=O)NCC)C[C@@H](C1)N
• Canonical SMILES: CCNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1cc2n(n1)cccc2)N
• InChI: InChI=1S/C15H19N5O2/c1-2-17-14(21)13-7-10(16)9-19(13)15(22)12-8-11-5-3-4-6-20(11)18-12/h3-6,8,10,13H,2,7,9,16H2,1H3,(H,17,21)/t10-,13-/m0/s1
• InChIKey: SVMUSXJOXINHCP-GWCFXTLKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4S)-4-amino-N-ethyl-1-{pyrazolo[1,5-a]pyridine-2-carbonyl}pyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S,4S)-4-amino-N-ethyl-1-{pyrazolo[1,5-a]pyridine-2-carbonyl}pyrrolidine-2-carboxamide
• Synonyms: (4S)-4-amino-N-ethyl-1-(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)-L-prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.066137
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1379116
• LogD (pH = 7.4): -1.9358265
• Log P: -0.1982752
• Molar Refractivity: 92.2915 cm^3
• Polarizability: 31.701233 Å^3
• Polar Surface Area: 92.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.75
• LOG S: -1.21
• Polar Surface Area: 92.73 Å^2
• Rotatable Bonds: 3