3-[5-(1-methylpiperidine-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(propan-2-yl)propanamide

• ChemBase ID: 477095
• Molecular Formular: C19H31N5O2
• Molecular Mass: 361.48174
• Monoisotopic Mass: 361.24777526
• SMILES: c12n(nc(c1)CCC(=O)NC(C)C)CCN(C(=O)C1CN(CCC1)C)C2
• Canonical SMILES: CN1CCCC(C1)C(=O)N1CCn2c(C1)cc(n2)CCC(=O)NC(C)C
• InChI: InChI=1S/C19H31N5O2/c1-14(2)20-18(25)7-6-16-11-17-13-23(9-10-24(17)21-16)19(26)15-5-4-8-22(3)12-15/h11,14-15H,4-10,12-13H2,1-3H3,(H,20,25)
• InChIKey: WACITBWOEPRGNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(1-methylpiperidine-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-3-[5-(1-methylpiperidine-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-isopropyl-3-{5-[(1-methyl-3-piperidinyl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.319149
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.135305
• LogD (pH = 7.4): -1.5842848
• Log P: 0.10675579
• Molar Refractivity: 112.6272 cm^3
• Polarizability: 39.093723 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.36
• LOG S: -2.84
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5