8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C16H15N5OS — CID 53250190

IUPAC8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C16H15N5OS/c1-22-12-4-2-8-21-16(12)19-15(20-21)7-6-14-17-10-11(18-14)13-5-3-9-23-13/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyPBRNISLZPSERAY-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.97
Rot. Bonds5

About 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250190) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250190
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C16H15N5OS/c1-22-12-4-2-8-21-16(12)19-15(20-21)7-6-14-17-10-11(18-14)13-5-3-9-23-13/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyPBRNISLZPSERAY-UHFFFAOYSA-N
XLogP2.97
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250190) is 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12.
What is the InChIKey of 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PBRNISLZPSERAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-22-12-4-2-8-21-16(12)19-15(20-21)7-6-14-17-10-11(18-14)13-5-3-9-23-13/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 325.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).