{[5-(5-chloropyridine-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(furan-3-ylmethyl)methylamine

• ChemBase ID: 340078
• Molecular Formular: C19H20ClN5O2
• Molecular Mass: 385.8474
• Monoisotopic Mass: 385.13055259
• SMILES: c12n(nc(c1)CN(Cc1cocc1)C)CCN(C(=O)c1ncc(cc1)Cl)C2
• Canonical SMILES: CN(Cc1nn2c(c1)CN(CC2)C(=O)c1ccc(cn1)Cl)Cc1cocc1
• InChI: InChI=1S/C19H20ClN5O2/c1-23(10-14-4-7-27-13-14)11-16-8-17-12-24(5-6-25(17)22-16)19(26)18-3-2-15(20)9-21-18/h2-4,7-9,13H,5-6,10-12H2,1H3
• InChIKey: WOSOWGSWVGGFLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(5-chloropyridine-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(furan-3-ylmethyl)methylamine
• IUPAC Traditional name: {[5-(5-chloropyridine-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(furan-3-ylmethyl)methylamine
• Synonyms: ({5-[(5-chloro-2-pyridinyl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)(3-furylmethyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8837117
• LogD (pH = 7.4): 1.7907103
• Log P: 1.8318574
• Molar Refractivity: 113.7767 cm^3
• Polarizability: 38.898113 Å^3
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.89
• LOG S: -2.77
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 5