(3S)-3-ethyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}morpholine

• ChemBase ID: 598831
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c1(C(=O)N2[C@H](COCC2)CC)c2n(nc1)cccc2
• Canonical SMILES: CC[C@H]1COCCN1C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C14H17N3O2/c1-2-11-10-19-8-7-16(11)14(18)12-9-15-17-6-4-3-5-13(12)17/h3-6,9,11H,2,7-8,10H2,1H3/t11-/m0/s1
• InChIKey: KLIPJCFTKASGRL-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-ethyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}morpholine
• IUPAC Traditional name: (3S)-3-ethyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}morpholine
• Synonyms: 3-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5217618
• LogD (pH = 7.4): 1.5217723
• Log P: 1.5217724
• Molar Refractivity: 82.867 cm^3
• Polarizability: 27.80464 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.37
• LOG S: -1.41
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2