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

• ChemBase ID: 707040
• Molecular Formular: C18H23N5O3
• Molecular Mass: 357.40692
• Monoisotopic Mass: 357.18008962
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)Cc1onc(c1)C)C2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)Cc1onc(c1)C
• InChI: InChI=1S/C18H23N5O3/c1-12-8-16(26-21-12)10-18(25)22-6-7-23-15(11-22)9-14(20-23)4-5-17(24)19-13-2-3-13/h8-9,13H,2-7,10-11H2,1H3,(H,19,24)
• InChIKey: ZOYIEHVUWUUJQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.183015
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.59339213
• LogD (pH = 7.4): -0.5933401
• Log P: -0.59333944
• Molar Refractivity: 105.7316 cm^3
• Polarizability: 35.764156 Å^3
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.46
• LOG S: -1.87
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 6