1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide

C23H24N4O5S — CID 58074619

IUPAC1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc3c2CCC3=O)c2nc(C3(C(=O)NCCS(C)(=O)=O)CC3)nn12
InChIInChI=1S/C23H24N4O5S/c1-32-19-9-7-17(14-4-3-5-16-15(14)6-8-18(16)28)20-25-21(26-27(19)20)23(10-11-23)22(29)24-12-13-33(2,30)31/h3-5,7,9H,6,8,10-13H2,1-2H3,(H,24,29)
InChIKeyKNNCXVNIYUXGNM-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.73
Rot. Bonds7

About 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide

1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide (PubChem CID 58074619) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
PubChem CID58074619
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc3c2CCC3=O)c2nc(C3(C(=O)NCCS(C)(=O)=O)CC3)nn12
InChIInChI=1S/C23H24N4O5S/c1-32-19-9-7-17(14-4-3-5-16-15(14)6-8-18(16)28)20-25-21(26-27(19)20)23(10-11-23)22(29)24-12-13-33(2,30)31/h3-5,7,9H,6,8,10-13H2,1-2H3,(H,24,29)
InChIKeyKNNCXVNIYUXGNM-UHFFFAOYSA-N
XLogP1.73
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide (CID 58074619) is 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide is COc1ccc(-c2cccc3c2CCC3=O)c2nc(C3(C(=O)NCCS(C)(=O)=O)CC3)nn12.
What is the InChIKey of 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The InChIKey is KNNCXVNIYUXGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-32-19-9-7-17(14-4-3-5-16-15(14)6-8-18(16)28)20-25-21(26-27(19)20)23(10-11-23)22(29)24-12-13-33(2,30)31/h3-5,7,9H,6,8,10-13H2,1-2H3,(H,24,29).
What are the key properties of 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58074619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).