N-cyclopropyl-3-{5-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 652271
• Molecular Formular: C17H26N8O
• Molecular Mass: 358.44134
• Monoisotopic Mass: 358.22295749
• SMILES: n12c(cc(n1)CCC(=O)NC1CC1)CN(CC2)CCCn1nnnc1C
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)CCCn1nnnc1C
• InChI: InChI=1S/C17H26N8O/c1-13-19-21-22-24(13)8-2-7-23-9-10-25-16(12-23)11-15(20-25)5-6-17(26)18-14-3-4-14/h11,14H,2-10,12H2,1H3,(H,18,26)
• InChIKey: WLXHECGADGLOLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{5-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{5-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)propyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-cyclopropyl-3-{5-[3-(5-methyl-1H-tetrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.39336
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.811514
• LogD (pH = 7.4): -1.1306084
• Log P: -0.70627904
• Molar Refractivity: 121.6992 cm^3
• Polarizability: 36.820034 Å^3
• Polar Surface Area: 93.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.59
• LOG S: -1.77
• Polar Surface Area: 93.76 Å^2
• Rotatable Bonds: 8