N-[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)propyl]pyridin-3-amine

• ChemBase ID: 552280
• Molecular Formular: C17H21N7
• Molecular Mass: 323.39554
• Monoisotopic Mass: 323.18584371
• SMILES: c1(nn2c(c1)CNCC2)c1n(ccn1)CCCNc1cnccc1
• Canonical SMILES: c1ccc(cn1)NCCCn1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C17H21N7/c1-3-14(12-18-4-1)20-5-2-8-23-9-7-21-17(23)16-11-15-13-19-6-10-24(15)22-16/h1,3-4,7,9,11-12,19-20H,2,5-6,8,10,13H2
• InChIKey: XXSPAZWINQUUOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)propyl]pyridin-3-amine
• IUPAC Traditional name: N-[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)propyl]pyridin-3-amine
• Synonyms: N-{3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1H-imidazol-1-yl]propyl}-3-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.3498862
• LogD (pH = 7.4): -0.23412281
• Log P: 0.3405438
• Molar Refractivity: 115.6903 cm^3
• Polarizability: 35.746212 Å^3
• Polar Surface Area: 72.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.86
• LOG S: -0.27
• Polar Surface Area: 72.59 Å^2
• Rotatable Bonds: 6