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

C25H26FN5O4S — CID 146786150

IUPAC2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide
SMILESCOC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)n1
InChIInChI=1S/C25H26FN5O4S/c1-25(2,35-3)15-31-10-8-24(29-31)36(33,34)30-23(32)13-21-18-5-4-6-19(18)22(26)12-20(21)16-7-9-28-17(11-16)14-27/h7-12H,4-6,13,15H2,1-3H3,(H,30,32)
InChIKeyRUXHOEOJXWXVCB-UHFFFAOYSA-N
MW511.58 g/mol
LogP2.92
Rot. Bonds8

About 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

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 (PubChem CID 146786150) has the molecular formula C25H26FN5O4S and a molecular weight of 511.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide
PubChem CID146786150
Molecular FormulaC25H26FN5O4S
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide
SMILESCOC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)n1
InChIInChI=1S/C25H26FN5O4S/c1-25(2,35-3)15-31-10-8-24(29-31)36(33,34)30-23(32)13-21-18-5-4-6-19(18)22(26)12-20(21)16-7-9-28-17(11-16)14-27/h7-12H,4-6,13,15H2,1-3H3,(H,30,32)
InChIKeyRUXHOEOJXWXVCB-UHFFFAOYSA-N
XLogP2.92
TPSA126.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11530200, Example 9
CID 155464035
US11530200, Example 2
CID 155463940
US11530200, Example 13
CID 147083103
US11530200, Example 30
CID 153337689
US11530200, Example 1
CID 155463817
US11530200, Example 8
CID 155464033
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
CID 146860347
2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonylacetamide
CID 146937586
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
2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
CID 147276907

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)n1.
What is the InChIKey of 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?
The InChIKey is RUXHOEOJXWXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4S/c1-25(2,35-3)15-31-10-8-24(29-31)36(33,34)30-23(32)13-21-18-5-4-6-19(18)22(26)12-20(21)16-7-9-28-17(11-16)14-27/h7-12H,4-6,13,15H2,1-3H3,(H,30,32).
What are the key properties of 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?
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 has a molecular weight of 511.58 g/mol, XLogP of 2.92, 8 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)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 146786150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).