N-(2-methoxyethyl)-7-(propan-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 548733
• Molecular Formular: C18H22N6O2
• Molecular Mass: 354.40628
• Monoisotopic Mass: 354.18042397
• SMILES: c12n(c(cc(n1)C(=O)N(Cc1ccncc1)CCOC)C(C)C)ncn2
• Canonical SMILES: COCCN(C(=O)c1cc(C(C)C)n2c(n1)ncn2)Cc1ccncc1
• InChI: InChI=1S/C18H22N6O2/c1-13(2)16-10-15(22-18-20-12-21-24(16)18)17(25)23(8-9-26-3)11-14-4-6-19-7-5-14/h4-7,10,12-13H,8-9,11H2,1-3H3
• InChIKey: FWQSLBOBANLGBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-7-(propan-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: 7-isopropyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: 7-isopropyl-N-(2-methoxyethyl)-N-(4-pyridinylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3336763
• LogD (pH = 7.4): 1.4416575
• Log P: 1.4432771
• Molar Refractivity: 109.7492 cm^3
• Polarizability: 36.587303 Å^3
• Polar Surface Area: 85.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.41
• LOG S: -1.44
• Polar Surface Area: 85.51 Å^2
• Rotatable Bonds: 7