1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidin-4-amine

• ChemBase ID: 845572
• Molecular Formular: C13H16N4O
• Molecular Mass: 244.29234
• Monoisotopic Mass: 244.13241115
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C13H16N4O/c14-10-5-8-16(9-6-10)13(18)12-3-1-2-11-4-7-15-17(11)12/h1-4,7,10H,5-6,8-9,14H2
• InChIKey: OWRWZCYTCIEOOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidin-4-amine
• IUPAC Traditional name: 1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidin-4-amine
• Synonyms: 1-(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0855265
• LogD (pH = 7.4): -2.5165308
• Log P: -0.06764566
• Molar Refractivity: 80.109 cm^3
• Polarizability: 26.791714 Å^3
• Polar Surface Area: 63.63 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.5
• LOG S: -1.86
• Polar Surface Area: 63.63 Å^2
• Rotatable Bonds: 1