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

• ChemBase ID: 516338
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: n12nc(cc1CNCC2)CCC(=O)NCCCn1c(=O)cccc1C
• Canonical SMILES: O=C(CCc1nn2c(c1)CNCC2)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C18H25N5O2/c1-14-4-2-5-18(25)22(14)10-3-8-20-17(24)7-6-15-12-16-13-19-9-11-23(16)21-15/h2,4-5,12,19H,3,6-11,13H2,1H3,(H,20,24)
• InChIKey: ZVXRCOXCBPBJAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.64471
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7003906
• LogD (pH = 7.4): -1.0265704
• Log P: -0.5880573
• Molar Refractivity: 109.9791 cm^3
• Polarizability: 36.68895 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.17
• LOG S: -2.02
• Polar Surface Area: 80.95 Å^2
• Rotatable Bonds: 7