1-(2-{[5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)piperidine-3-carboxamide

• ChemBase ID: 666229
• Molecular Formular: C19H23N7O
• Molecular Mass: 365.43222
• Monoisotopic Mass: 365.19640839
• SMILES: n12c(nc(cc1NCCN1CC(C(=O)N)CCC1)c1ccncc1)ccn2
• Canonical SMILES: NC(=O)C1CCCN(C1)CCNc1cc(nc2n1ncc2)c1ccncc1
• InChI: InChI=1S/C19H23N7O/c20-19(27)15-2-1-10-25(13-15)11-9-22-18-12-16(14-3-6-21-7-4-14)24-17-5-8-23-26(17)18/h3-8,12,15,22H,1-2,9-11,13H2,(H2,20,27)
• InChIKey: KIRPCAWQMSNSMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{[5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(2-{[5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)piperidine-3-carboxamide
• Synonyms: 1-(2-{[5-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.33403
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.6724532
• LogD (pH = 7.4): -1.0169669
• Log P: 0.47116503
• Molar Refractivity: 113.8972 cm^3
• Polarizability: 40.313915 Å^3
• Polar Surface Area: 101.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.29
• LOG S: -3.42
• Polar Surface Area: 101.44 Å^2
• Rotatable Bonds: 6