6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

C16H13Cl2N5 — CID 165415152

IUPAC6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3cn4ccccc4n3)nn12
InChIInChI=1S/C16H13Cl2N5/c1-10-12(17)8-13(18)16-20-14(21-23(10)16)6-5-11-9-22-7-3-2-4-15(22)19-11/h2-4,7-9H,5-6H2,1H3
InChIKeyCHTAHADVOCLCQW-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.78
Rot. Bonds3

About 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415152) has the molecular formula C16H13Cl2N5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415152
Molecular FormulaC16H13Cl2N5
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC Name6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3cn4ccccc4n3)nn12
InChIInChI=1S/C16H13Cl2N5/c1-10-12(17)8-13(18)16-20-14(21-23(10)16)6-5-11-9-22-7-3-2-4-15(22)19-11/h2-4,7-9H,5-6H2,1H3
InChIKeyCHTAHADVOCLCQW-UHFFFAOYSA-N
XLogP3.78
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165415152) is 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3cn4ccccc4n3)nn12.
What is the InChIKey of 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CHTAHADVOCLCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5/c1-10-12(17)8-13(18)16-20-14(21-23(10)16)6-5-11-9-22-7-3-2-4-15(22)19-11/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 346.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).