2-(4-{pyrazolo[1,5-a]pyridine-3-carbonyl}morpholin-3-yl)acetic acid

• ChemBase ID: 774987
• Molecular Formular: C14H15N3O4
• Molecular Mass: 289.2866
• Monoisotopic Mass: 289.10625598
• SMILES: c1(C(=O)N2C(CC(=O)O)COCC2)c2n(nc1)cccc2
• Canonical SMILES: OC(=O)CC1COCCN1C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C14H15N3O4/c18-13(19)7-10-9-21-6-5-16(10)14(20)11-8-15-17-4-2-1-3-12(11)17/h1-4,8,10H,5-7,9H2,(H,18,19)
• InChIKey: DMQPDQCDFMXVQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{pyrazolo[1,5-a]pyridine-3-carbonyl}morpholin-3-yl)acetic acid
• IUPAC Traditional name: (4-{pyrazolo[1,5-a]pyridine-3-carbonyl}morpholin-3-yl)acetic acid
• Synonyms: [4-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-3-morpholinyl]acetic acid

CALCULATED PROPERTIES

JChem

• Acid pKa: 3.7808115
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3644835
• LogD (pH = 7.4): -2.9141936
• Log P: 0.3574381
• Molar Refractivity: 84.3784 cm^3
• Polarizability: 28.387455 Å^3
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.96
• LOG S: -1.8
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 3