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

C20H19N5OS — CID 53250498

IUPAC8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESC#CCn1cc(-c2cccs2)nc1CCc1nc2c(OC)ccc(C)n2n1
InChIInChI=1S/C20H19N5OS/c1-4-11-24-13-15(17-6-5-12-27-17)21-19(24)10-9-18-22-20-16(26-3)8-7-14(2)25(20)23-18/h1,5-8,12-13H,9-11H2,2-3H3
InChIKeyQRNHHWABHJNYNZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.39
Rot. Bonds6

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

8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250498) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250498
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESC#CCn1cc(-c2cccs2)nc1CCc1nc2c(OC)ccc(C)n2n1
InChIInChI=1S/C20H19N5OS/c1-4-11-24-13-15(17-6-5-12-27-17)21-19(24)10-9-18-22-20-16(26-3)8-7-14(2)25(20)23-18/h1,5-8,12-13H,9-11H2,2-3H3
InChIKeyQRNHHWABHJNYNZ-UHFFFAOYSA-N
XLogP3.39
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
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US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250498) is 8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-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-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is C#CCn1cc(-c2cccs2)nc1CCc1nc2c(OC)ccc(C)n2n1.
What is the InChIKey of 8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QRNHHWABHJNYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-4-11-24-13-15(17-6-5-12-27-17)21-19(24)10-9-18-22-20-16(26-3)8-7-14(2)25(20)23-18/h1,5-8,12-13H,9-11H2,2-3H3.
What are the key properties of 8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-5-methyl-2-[2-(1-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 377.47 g/mol, XLogP of 3.39, 6 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-prop-2-ynyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).