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

• ChemBase ID: 409384
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N1Cc2n(nc(c2)CCC(=O)NC2CC2)CC1
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)c1n[nH]c2c1cccc2
• InChI: InChI=1S/C20H22N6O2/c27-18(21-13-5-6-13)8-7-14-11-15-12-25(9-10-26(15)24-14)20(28)19-16-3-1-2-4-17(16)22-23-19/h1-4,11,13H,5-10,12H2,(H,21,27)(H,22,23)
• InChIKey: AHCTZJYAKKHWKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[5-(1H-indazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[5-(1H-indazole-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopropyl-3-[5-(1H-indazol-3-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.189897
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.71943396
• LogD (pH = 7.4): 0.7188034
• Log P: 0.7194907
• Molar Refractivity: 115.4123 cm^3
• Polarizability: 40.213383 Å^3
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.4
• LOG S: -2.07
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 5