6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine

C13H11Br2N3S — CID 102844427

IUPAC6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1sc(-c2nc3ccc(Br)c(C)n3c2N)cc1Br
InChIInChI=1S/C13H11Br2N3S/c1-6-8(14)3-4-11-17-12(13(16)18(6)11)10-5-9(15)7(2)19-10/h3-5H,16H2,1-2H3
InChIKeyHROYMSSGFDPTMT-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.79
Rot. Bonds1

About 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine

6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 102844427) has the molecular formula C13H11Br2N3S and a molecular weight of 401.13 g/mol. Its IUPAC name is 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID102844427
Molecular FormulaC13H11Br2N3S
Molecular Weight401.13 g/mol
Exact Mass398.90
IUPAC Name6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1sc(-c2nc3ccc(Br)c(C)n3c2N)cc1Br
InChIInChI=1S/C13H11Br2N3S/c1-6-8(14)3-4-11-17-12(13(16)18(6)11)10-5-9(15)7(2)19-10/h3-5H,16H2,1-2H3
InChIKeyHROYMSSGFDPTMT-UHFFFAOYSA-N
XLogP4.79
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 102844427) is 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine is Cc1sc(-c2nc3ccc(Br)c(C)n3c2N)cc1Br.
What is the InChIKey of 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is HROYMSSGFDPTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3S/c1-6-8(14)3-4-11-17-12(13(16)18(6)11)10-5-9(15)7(2)19-10/h3-5H,16H2,1-2H3.
What are the key properties of 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 401.13 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 102844427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).