3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

C23H24FN5O4S — CID 155429287

IUPAC3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)nn1C
InChIInChI=1S/C23H24FN5O4S/c1-28(2)23(31)20-13-22(26-29(20)3)34(32,33)27-21(30)12-18-15-5-4-6-16(15)19(24)11-17(18)14-7-9-25-10-8-14/h7-11,13H,4-6,12H2,1-3H3,(H,27,30)
InChIKeyFJIGNJKWAQFNPG-UHFFFAOYSA-N
MW485.54 g/mol
LogP1.86
Rot. Bonds6

About 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (PubChem CID 155429287) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
PubChem CID155429287
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)nn1C
InChIInChI=1S/C23H24FN5O4S/c1-28(2)23(31)20-13-22(26-29(20)3)34(32,33)27-21(30)12-18-15-5-4-6-16(15)19(24)11-17(18)14-7-9-25-10-8-14/h7-11,13H,4-6,12H2,1-3H3,(H,27,30)
InChIKeyFJIGNJKWAQFNPG-UHFFFAOYSA-N
XLogP1.86
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl chloride;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide
CID 161318662
2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide
CID 155656914
N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158980274
1-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 137404113
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide
CID 137499517
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide
CID 155421061
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158485024
4-(7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)pyridine
CID 154660449
1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonimidoyl]urea
CID 138532542
N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide
CID 155640474
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 137499616
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
CID 147645296

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The IUPAC name of 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (CID 155429287) is 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is CN(C)C(=O)c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)nn1C.
What is the InChIKey of 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The InChIKey is FJIGNJKWAQFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c1-28(2)23(31)20-13-22(26-29(20)3)34(32,33)27-21(30)12-18-15-5-4-6-16(15)19(24)11-17(18)14-7-9-25-10-8-14/h7-11,13H,4-6,12H2,1-3H3,(H,27,30).
What are the key properties of 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 155429287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).