1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C19H17N5OS — CID 158772673

IUPAC1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1ccncc1-c1cc(C(=O)Cc2nc(C)cs2)c2ncnn2c1
InChIInChI=1S/C19H17N5OS/c1-3-13-4-5-20-8-16(13)14-6-15(19-21-11-22-24(19)9-14)17(25)7-18-23-12(2)10-26-18/h4-6,8-11H,3,7H2,1-2H3
InChIKeyMZINQUPBEQWMFJ-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.54
Rot. Bonds5

About 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 158772673) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID158772673
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1ccncc1-c1cc(C(=O)Cc2nc(C)cs2)c2ncnn2c1
InChIInChI=1S/C19H17N5OS/c1-3-13-4-5-20-8-16(13)14-6-15(19-21-11-22-24(19)9-14)17(25)7-18-23-12(2)10-26-18/h4-6,8-11H,3,7H2,1-2H3
InChIKeyMZINQUPBEQWMFJ-UHFFFAOYSA-N
XLogP3.54
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 158772673) is 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is CCc1ccncc1-c1cc(C(=O)Cc2nc(C)cs2)c2ncnn2c1.
What is the InChIKey of 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is MZINQUPBEQWMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-3-13-4-5-20-8-16(13)14-6-15(19-21-11-22-24(19)9-14)17(25)7-18-23-12(2)10-26-18/h4-6,8-11H,3,7H2,1-2H3.
What are the key properties of 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 363.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158772673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).