5-propyl-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 617082
• Molecular Formular: C18H21N7
• Molecular Mass: 335.40624
• Monoisotopic Mass: 335.18584371
• SMILES: n12c(nc(cc1NCCCc1n3c(nn1)cccc3)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCCCc2nnc3n2cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C18H21N7/c1-2-6-14-13-18(25-15(21-14)9-11-20-25)19-10-5-8-17-23-22-16-7-3-4-12-24(16)17/h3-4,7,9,11-13,19H,2,5-6,8,10H2,1H3
• InChIKey: ZASGBPGOVVUDSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propyl-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-propyl-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-propyl-N-(3-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6393964
• LogD (pH = 7.4): 1.6406657
• Log P: 1.6406819
• Molar Refractivity: 110.5287 cm^3
• Polarizability: 36.08693 Å^3
• Polar Surface Area: 72.41 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: 3.24
• LOG S: -4.41
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 7