2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide

C22H20N6O3S — CID 155464033

IUPAC2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide
SMILESN#Cc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cnn(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C22H20N6O3S/c23-12-16-10-15(8-9-24-16)19-7-4-14-2-1-3-18(14)20(19)11-21(29)27-32(30,31)22-13-25-28(26-22)17-5-6-17/h4,7-10,13,17H,1-3,5-6,11H2,(H,27,29)
InChIKeyPFBKSGOGABZMOH-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.08
Rot. Bonds6

About 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide

2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide (PubChem CID 155464033) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide
PubChem CID155464033
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC Name2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide
SMILESN#Cc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cnn(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C22H20N6O3S/c23-12-16-10-15(8-9-24-16)19-7-4-14-2-1-3-18(14)20(19)11-21(29)27-32(30,31)22-13-25-28(26-22)17-5-6-17/h4,7-10,13,17H,1-3,5-6,11H2,(H,27,29)
InChIKeyPFBKSGOGABZMOH-UHFFFAOYSA-N
XLogP2.08
TPSA130.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide with MolForge

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Related Compounds

US11530200, Example 7
CID 155463941
US11530200, Example 9
CID 155464035
US11530200, Example 27
CID 155464201
US11530200, Example 30
CID 153337689
US11530200, Example 1
CID 155463817
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide
CID 146786150
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
CID 147123193
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylacetamide
CID 147151582
N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
CID 147191382
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
CID 147763932
2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
CID 148280662
2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylacetamide
CID 148583529

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide?
The IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide (CID 155464033) is 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide.
What is the SMILES notation for 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide?
The canonical SMILES for 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide is N#Cc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cnn(C4CC4)n2)CCC3)ccn1.
What is the InChIKey of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide?
The InChIKey is PFBKSGOGABZMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c23-12-16-10-15(8-9-24-16)19-7-4-14-2-1-3-18(14)20(19)11-21(29)27-32(30,31)22-13-25-28(26-22)17-5-6-17/h4,7-10,13,17H,1-3,5-6,11H2,(H,27,29).
What are the key properties of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide?
2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide has a molecular weight of 448.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(2-cyclopropyltriazol-4-yl)sulfonylacetamide is sourced from PubChem (CID 155464033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).