5-bromo-6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine

• ChemBase ID: 42961
• Molecular Formular: C10H11BrN4
• Molecular Mass: 267.12514
• Monoisotopic Mass: 266.01670837
• SMILES: c12c(c(nn1C)N)cc(c(n2)C1CC1)Br
• Canonical SMILES: Brc1cc2c(N)nn(c2nc1C1CC1)C
• InChI: InChI=1S/C10H11BrN4/c1-15-10-6(9(12)14-15)4-7(11)8(13-10)5-2-3-5/h4-5H,2-3H2,1H3,(H2,12,14)
• InChIKey: LWYMUEMIHVUVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine
• IUPAC Traditional name: 5-bromo-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-3-amine
• Synonyms: 5-Bromo-6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine; (3-Amino-5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl)cyclopropane; 3-Amino-5-bromo-6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridine; 5-Bromo-6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine

Database IDs

• MDL Number: MFCD11840982
• PubChem SID: 162047724
• PubChem CID: 40148035

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0139744
• LogD (pH = 7.4): 2.0152082
• Log P: 2.015224
• Molar Refractivity: 73.7122 cm^3
• Polarizability: 23.512762 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%