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

C14H15BrN4S — CID 80528222

IUPAC6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(C)(Cn1c(N)nc2cc(Br)cnc21)c1cccs1
InChIInChI=1S/C14H15BrN4S/c1-14(2,11-4-3-5-20-11)8-19-12-10(18-13(19)16)6-9(15)7-17-12/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeyYXRCKCGHDZDEQJ-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.82
Rot. Bonds3

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

6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 80528222) has the molecular formula C14H15BrN4S and a molecular weight of 351.27 g/mol. Its IUPAC name is 6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID80528222
Molecular FormulaC14H15BrN4S
Molecular Weight351.27 g/mol
Exact Mass350.02
IUPAC Name6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(C)(Cn1c(N)nc2cc(Br)cnc21)c1cccs1
InChIInChI=1S/C14H15BrN4S/c1-14(2,11-4-3-5-20-11)8-19-12-10(18-13(19)16)6-9(15)7-17-12/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeyYXRCKCGHDZDEQJ-UHFFFAOYSA-N
XLogP3.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.82
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-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine (CID 80528222) is 6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine is CC(C)(Cn1c(N)nc2cc(Br)cnc21)c1cccs1.
What is the InChIKey of 6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is YXRCKCGHDZDEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4S/c1-14(2,11-4-3-5-20-11)8-19-12-10(18-13(19)16)6-9(15)7-17-12/h3-7H,8H2,1-2H3,(H2,16,18).
What are the key properties of 6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(2-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 351.27 g/mol, XLogP of 3.82, 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-methyl-2-thiophen-2-ylpropyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 80528222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).