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

• ChemBase ID: 713350
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)C1CN(CC1)CC)C2
• Canonical SMILES: CCN1CCC(C1)C(=O)N1CCn2c(C1)cc(n2)CCC(=O)NC1CC1
• InChI: InChI=1S/C19H29N5O2/c1-2-22-8-7-14(12-22)19(26)23-9-10-24-17(13-23)11-16(21-24)5-6-18(25)20-15-3-4-15/h11,14-15H,2-10,12-13H2,1H3,(H,20,25)
• InChIKey: WWAIFDUSLYVBNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[5-(1-ethylpyrrolidine-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[5-(1-ethylpyrrolidine-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopropyl-3-{5-[(1-ethyl-3-pyrrolidinyl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.183016
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.6559117
• LogD (pH = 7.4): -2.3197875
• Log P: -0.28882337
• Molar Refractivity: 110.8186 cm^3
• Polarizability: 38.37144 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.78
• LOG S: -2.46
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6