N-{[3-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 847175
• Molecular Formular: C24H23N5O3
• Molecular Mass: 429.47112
• Monoisotopic Mass: 429.18008962
• SMILES: c1(c2n(nc1)cccn2)C(=O)N(Cc1cc(OC2CCOC2)ccc1)Cc1ccncc1
• Canonical SMILES: O=C(c1cnn2c1nccc2)N(Cc1ccncc1)Cc1cccc(c1)OC1COCC1
• InChI: InChI=1S/C24H23N5O3/c30-24(22-14-27-29-11-2-8-26-23(22)29)28(15-18-5-9-25-10-6-18)16-19-3-1-4-20(13-19)32-21-7-12-31-17-21/h1-6,8-11,13-14,21H,7,12,15-17H2
• InChIKey: GQKMKGUJVZIMOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-{[3-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-(4-pyridinylmethyl)-N-[3-(tetrahydro-3-furanyloxy)benzyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.8161932
• LogD (pH = 7.4): 1.9241744
• Log P: 1.925794
• Molar Refractivity: 129.787 cm^3
• Polarizability: 45.21212 Å^3
• Polar Surface Area: 81.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.09
• LOG S: -3.51
• Polar Surface Area: 81.85 Å^2
• Rotatable Bonds: 7