N-cyclopentyl-4-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

• ChemBase ID: 842276
• Molecular Formular: C14H17N7
• Molecular Mass: 283.33168
• Monoisotopic Mass: 283.15454358
• SMILES: c1(c2c3c(nc(c2)NC2CCCC2)[nH]cc3)n(nnn1)C
• Canonical SMILES: Cn1nnnc1c1cc(NC2CCCC2)nc2c1cc[nH]2
• InChI: InChI=1S/C14H17N7/c1-21-14(18-19-20-21)11-8-12(16-9-4-2-3-5-9)17-13-10(11)6-7-15-13/h6-9H,2-5H2,1H3,(H2,15,16,17)
• InChIKey: SZUZLKBRPPWWPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• IUPAC Traditional name: N-cyclopentyl-4-(1-methyl-1,2,3,4-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• Synonyms: N-cyclopentyl-4-(1-methyl-1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.633212
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.022864
• LogD (pH = 7.4): 2.0476453
• Log P: 2.047971
• Molar Refractivity: 104.4389 cm^3
• Polarizability: 30.694098 Å^3
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.6
• LOG S: -3.49
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 3