6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine

C14H13BrN4O2S — CID 70687384

IUPAC6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(S(C)(=O)=O)cc3)[nH]c12
InChIInChI=1S/C14H13BrN4O2S/c1-16-11-10(15)7-17-14-12(11)18-13(19-14)8-3-5-9(6-4-8)22(2,20)21/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyJWPPHAQXCHYGAE-UHFFFAOYSA-N
MW381.26 g/mol
LogP2.83
Rot. Bonds3

About 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70687384) has the molecular formula C14H13BrN4O2S and a molecular weight of 381.26 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70687384
Molecular FormulaC14H13BrN4O2S
Molecular Weight381.26 g/mol
Exact Mass379.99
IUPAC Name6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(S(C)(=O)=O)cc3)[nH]c12
InChIInChI=1S/C14H13BrN4O2S/c1-16-11-10(15)7-17-14-12(11)18-13(19-14)8-3-5-9(6-4-8)22(2,20)21/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyJWPPHAQXCHYGAE-UHFFFAOYSA-N
XLogP2.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 70687384) is 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(S(C)(=O)=O)cc3)[nH]c12.
What is the InChIKey of 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is JWPPHAQXCHYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2S/c1-16-11-10(15)7-17-14-12(11)18-13(19-14)8-3-5-9(6-4-8)22(2,20)21/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 381.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70687384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).