6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine

C13H11BrN4O2S — CID 79280401

IUPAC6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-n2c(N)nc3cc(Br)cnc32)cc1
InChIInChI=1S/C13H11BrN4O2S/c1-21(19,20)10-4-2-9(3-5-10)18-12-11(17-13(18)15)6-8(14)7-16-12/h2-7H,1H3,(H2,15,17)
InChIKeyRKGIMKUYMDDJGS-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.17
Rot. Bonds2

About 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79280401) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79280401
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-n2c(N)nc3cc(Br)cnc32)cc1
InChIInChI=1S/C13H11BrN4O2S/c1-21(19,20)10-4-2-9(3-5-10)18-12-11(17-13(18)15)6-8(14)7-16-12/h2-7H,1H3,(H2,15,17)
InChIKeyRKGIMKUYMDDJGS-UHFFFAOYSA-N
XLogP2.17
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine (CID 79280401) is 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine is CS(=O)(=O)c1ccc(-n2c(N)nc3cc(Br)cnc32)cc1.
What is the InChIKey of 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is RKGIMKUYMDDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c1-21(19,20)10-4-2-9(3-5-10)18-12-11(17-13(18)15)6-8(14)7-16-12/h2-7H,1H3,(H2,15,17).
What are the key properties of 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 367.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79280401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).