1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide

C25H23FN4O3S — CID 24745819

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c1cnn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O3S/c26-19-6-8-21(9-7-19)34(32,33)29-12-10-20(11-13-29)30-24-15-18(17-4-2-1-3-5-17)14-22(25(27)31)23(24)16-28-30/h1-9,14-16,20H,10-13H2,(H2,27,31)
InChIKeySPCLKFPXUMGPFK-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.97
Rot. Bonds5

About 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide

1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide (PubChem CID 24745819) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide
PubChem CID24745819
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c1cnn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O3S/c26-19-6-8-21(9-7-19)34(32,33)29-12-10-20(11-13-29)30-24-15-18(17-4-2-1-3-5-17)14-22(25(27)31)23(24)16-28-30/h1-9,14-16,20H,10-13H2,(H2,27,31)
InChIKeySPCLKFPXUMGPFK-UHFFFAOYSA-N
XLogP3.97
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 10072401
1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468570
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468708
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide
CID 44469804
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
1-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indazole-4-carboxamide
CID 44470374
N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
CID 44528589
3-[1-(4-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 44528590
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide (CID 24745819) is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c1cnn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide?
The InChIKey is SPCLKFPXUMGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c26-19-6-8-21(9-7-19)34(32,33)29-12-10-20(11-13-29)30-24-15-18(17-4-2-1-3-5-17)14-22(25(27)31)23(24)16-28-30/h1-9,14-16,20H,10-13H2,(H2,27,31).
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide?
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-phenylindazole-4-carboxamide is sourced from PubChem (CID 24745819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).