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

C12H11BrN4S — CID 79306336

IUPAC6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CCc1cccs1
InChIInChI=1S/C12H11BrN4S/c13-8-6-10-11(15-7-8)17(12(14)16-10)4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H2,14,16)
InChIKeyUAIJENZHPRSMEF-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.08
Rot. Bonds3

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

6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306336) has the molecular formula C12H11BrN4S and a molecular weight of 323.22 g/mol. Its IUPAC name is 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79306336
Molecular FormulaC12H11BrN4S
Molecular Weight323.22 g/mol
Exact Mass321.99
IUPAC Name6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CCc1cccs1
InChIInChI=1S/C12H11BrN4S/c13-8-6-10-11(15-7-8)17(12(14)16-10)4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H2,14,16)
InChIKeyUAIJENZHPRSMEF-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine (CID 79306336) is 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1CCc1cccs1.
What is the InChIKey of 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is UAIJENZHPRSMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S/c13-8-6-10-11(15-7-8)17(12(14)16-10)4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H2,14,16).
What are the key properties of 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 323.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).