2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide

C23H26FN5O3S — CID 155444839

IUPAC2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide
SMILESCN1CCC(N(C)S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C23H26FN5O3S/c1-28-9-7-17(14-28)29(2)33(31,32)27-23(30)12-21-18-4-3-5-19(18)22(24)11-20(21)15-6-8-26-16(10-15)13-25/h6,8,10-11,17H,3-5,7,9,12,14H2,1-2H3,(H,27,30)
InChIKeySFRSIJGRGXNDSV-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.79
Rot. Bonds6

About 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide

2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide (PubChem CID 155444839) has the molecular formula C23H26FN5O3S and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide
PubChem CID155444839
Molecular FormulaC23H26FN5O3S
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Name2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide
SMILESCN1CCC(N(C)S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C23H26FN5O3S/c1-28-9-7-17(14-28)29(2)33(31,32)27-23(30)12-21-18-4-3-5-19(18)22(24)11-20(21)15-6-8-26-16(10-15)13-25/h6,8,10-11,17H,3-5,7,9,12,14H2,1-2H3,(H,27,30)
InChIKeySFRSIJGRGXNDSV-UHFFFAOYSA-N
XLogP1.79
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide?
The IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide (CID 155444839) is 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide.
What is the SMILES notation for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide?
The canonical SMILES for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide is CN1CCC(N(C)S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)C1.
What is the InChIKey of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide?
The InChIKey is SFRSIJGRGXNDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3S/c1-28-9-7-17(14-28)29(2)33(31,32)27-23(30)12-21-18-4-3-5-19(18)22(24)11-20(21)15-6-8-26-16(10-15)13-25/h6,8,10-11,17H,3-5,7,9,12,14H2,1-2H3,(H,27,30).
What are the key properties of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide?
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide has a molecular weight of 471.56 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]acetamide is sourced from PubChem (CID 155444839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).