5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid

C23H27N5O7S — CID 118913996

IUPAC5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)O.COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3CC3)nc12
InChIInChI=1S/C18H15N3O3.C5H12N2O4S/c1-23-15-7-6-14(21-17(15)19-16(20-21)10-2-3-10)11-4-5-13-12(8-11)9-24-18(13)22;1-7(2)12(10,11)4-3-6-5(8)9/h4-8,10H,2-3,9H2,1H3;6H,3-4H2,1-2H3,(H,8,9)
InChIKeyPGCJQWUCDCIDSJ-UHFFFAOYSA-N
MW517.56 g/mol
LogP2.10
Rot. Bonds7

About 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid

5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid (PubChem CID 118913996) has the molecular formula C23H27N5O7S and a molecular weight of 517.56 g/mol. Its IUPAC name is 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid.

Molecular Properties

Compound Name5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid
PubChem CID118913996
Molecular FormulaC23H27N5O7S
Molecular Weight517.56 g/mol
Exact Mass517.16
IUPAC Name5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)O.COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3CC3)nc12
InChIInChI=1S/C18H15N3O3.C5H12N2O4S/c1-23-15-7-6-14(21-17(15)19-16(20-21)10-2-3-10)11-4-5-13-12(8-11)9-24-18(13)22;1-7(2)12(10,11)4-3-6-5(8)9/h4-8,10H,2-3,9H2,1H3;6H,3-4H2,1-2H3,(H,8,9)
InChIKeyPGCJQWUCDCIDSJ-UHFFFAOYSA-N
XLogP2.10
TPSA152.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid with MolForge

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Related Compounds

5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
CID 118913997
[1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
CID 58074604
cyclohexyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 162644677
tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 71612117
2-cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
[(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 162671119
4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid
CID 118913934
[1-[8-methoxy-5-(1-oxo-2,3-dihydroinden-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propylcarbamate
CID 58074661
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 70230839
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 70231703
N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
CID 123360585

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid?
The IUPAC name of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid (CID 118913996) is 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid.
What is the SMILES notation for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid?
The canonical SMILES for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid is CN(C)S(=O)(=O)CCNC(=O)O.COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3CC3)nc12.
What is the InChIKey of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid?
The InChIKey is PGCJQWUCDCIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3.C5H12N2O4S/c1-23-15-7-6-14(21-17(15)19-16(20-21)10-2-3-10)11-4-5-13-12(8-11)9-24-18(13)22;1-7(2)12(10,11)4-3-6-5(8)9/h4-8,10H,2-3,9H2,1H3;6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid?
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid has a molecular weight of 517.56 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid is sourced from PubChem (CID 118913996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).