4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide

C23H24N4O4S — CID 58374584

IUPAC4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2cccc3nc(CC(=O)C4CC4)nn23)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H24N4O4S/c1-26(18-11-12-32(30,31)14-18)23(29)17-9-5-15(6-10-17)19-3-2-4-22-24-21(25-27(19)22)13-20(28)16-7-8-16/h2-6,9-10,16,18H,7-8,11-14H2,1H3
InChIKeyABXDKGWXAWPKOH-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.18
Rot. Bonds6

About 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide

4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide (PubChem CID 58374584) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
PubChem CID58374584
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2cccc3nc(CC(=O)C4CC4)nn23)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H24N4O4S/c1-26(18-11-12-32(30,31)14-18)23(29)17-9-5-15(6-10-17)19-3-2-4-22-24-21(25-27(19)22)13-20(28)16-7-8-16/h2-6,9-10,16,18H,7-8,11-14H2,1H3
InChIKeyABXDKGWXAWPKOH-UHFFFAOYSA-N
XLogP2.18
TPSA101.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide with MolForge

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Related Compounds

1-cyclopropyl-2-[5-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 162173166
2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
CID 58374782
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24679501
1-cyclopropyl-2-[5-(2-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 148958304
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96576100
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044887
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propylbenzamide
CID 47719707
1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 158980152
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24679513
N-[(3R)-1,1-dioxothiolan-3-yl]-4-(methoxymethyl)-N-methylbenzamide
CID 38832034

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide?
The IUPAC name of 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide (CID 58374584) is 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide.
What is the SMILES notation for 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide?
The canonical SMILES for 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide is CN(C(=O)c1ccc(-c2cccc3nc(CC(=O)C4CC4)nn23)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide?
The InChIKey is ABXDKGWXAWPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-26(18-11-12-32(30,31)14-18)23(29)17-9-5-15(6-10-17)19-3-2-4-22-24-21(25-27(19)22)13-20(28)16-7-8-16/h2-6,9-10,16,18H,7-8,11-14H2,1H3.
What are the key properties of 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide?
4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide has a molecular weight of 452.54 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide is sourced from PubChem (CID 58374584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).