N-cyclopentyl-3-[5-(3-methoxypropanoyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide

• ChemBase ID: 487085
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: c12n(nc(c1)CCC(=O)NC1CCCC1)CCCN(C(=O)CCOC)C2
• Canonical SMILES: COCCC(=O)N1CCCn2c(C1)cc(n2)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C19H30N4O3/c1-26-12-9-19(25)22-10-4-11-23-17(14-22)13-16(21-23)7-8-18(24)20-15-5-2-3-6-15/h13,15H,2-12,14H2,1H3,(H,20,24)
• InChIKey: NXMLVIZBEXZROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-[5-(3-methoxypropanoyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopentyl-3-[5-(3-methoxypropanoyl)-4H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide
• Synonyms: N-cyclopentyl-3-[5-(3-methoxypropanoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.382877
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.16834307
• LogD (pH = 7.4): 0.1683917
• Log P: 0.16839233
• Molar Refractivity: 110.3189 cm^3
• Polarizability: 38.27811 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.01
• LOG S: -3.16
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7