N-cyclopropyl-5-[3-(1,2-oxazinan-2-yl)propanoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 447402
• Molecular Formular: C17H25N5O3
• Molecular Mass: 347.4121
• Monoisotopic Mass: 347.19573969
• SMILES: c1(nn2c(c1)CN(C(=O)CCN1OCCCC1)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)C(=O)NC1CC1)CCN1CCCCO1
• InChI: InChI=1S/C17H25N5O3/c23-16(5-7-21-6-1-2-10-25-21)20-8-9-22-14(12-20)11-15(19-22)17(24)18-13-3-4-13/h11,13H,1-10,12H2,(H,18,24)
• InChIKey: FYSWVSSSCOAPAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[3-(1,2-oxazinan-2-yl)propanoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[3-(1,2-oxazinan-2-yl)propanoyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[3-(1,2-oxazinan-2-yl)propanoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166565
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6096654
• LogD (pH = 7.4): -0.60903007
• Log P: -0.6090219
• Molar Refractivity: 103.1197 cm^3
• Polarizability: 35.22559 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.01
• LOG S: -3.04
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5