8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C18H19N5OS — CID 53250500

IUPAC8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3nc(-c4ccsc4)cn3C)nc12
InChIInChI=1S/C18H19N5OS/c1-12-4-5-15(24-3)18-20-16(21-23(12)18)6-7-17-19-14(10-22(17)2)13-8-9-25-11-13/h4-5,8-11H,6-7H2,1-3H3
InChIKeyQRVNVRSQXDLVRQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.29
Rot. Bonds5

About 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250500) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250500
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3nc(-c4ccsc4)cn3C)nc12
InChIInChI=1S/C18H19N5OS/c1-12-4-5-15(24-3)18-20-16(21-23(12)18)6-7-17-19-14(10-22(17)2)13-8-9-25-11-13/h4-5,8-11H,6-7H2,1-3H3
InChIKeyQRVNVRSQXDLVRQ-UHFFFAOYSA-N
XLogP3.29
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250500) is 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(C)n2nc(CCc3nc(-c4ccsc4)cn3C)nc12.
What is the InChIKey of 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QRVNVRSQXDLVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-4-5-15(24-3)18-20-16(21-23(12)18)6-7-17-19-14(10-22(17)2)13-8-9-25-11-13/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 353.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).