N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 840181
• Molecular Formular: C26H27N5O2
• Molecular Mass: 441.52488
• Monoisotopic Mass: 441.21647513
• SMILES: c1(c2n(nc1)cccn2)C(=O)N(Cc1ccc(cc1)OCCc1ncccc1)C1CCCC1
• Canonical SMILES: O=C(c1cnn2c1nccc2)N(C1CCCC1)Cc1ccc(cc1)OCCc1ccccn1
• InChI: InChI=1S/C26H27N5O2/c32-26(24-18-29-31-16-5-15-28-25(24)31)30(22-7-1-2-8-22)19-20-9-11-23(12-10-20)33-17-13-21-6-3-4-14-27-21/h3-6,9-12,14-16,18,22H,1-2,7-8,13,17,19H2
• InChIKey: OSPHLZKWZMFNAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-cyclopentyl-N-{4-[2-(2-pyridinyl)ethoxy]benzyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.5097938
• LogD (pH = 7.4): 3.6947443
• Log P: 3.6977541
• Molar Refractivity: 136.7673 cm^3
• Polarizability: 48.117813 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.76
• LOG S: -5.76
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 8