N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide

C112H92Cl3F7N18O12S2 — CID 158831335

IUPACN-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(Cl)c1.O=C(NCCCS(=O)(=O)N1CCOCC1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1.O=C1Cc2cc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C24H21FN4O2.C23H17FN4O2.C22H14Cl2F3N3O.C22H17ClFN3O3S.C21H23FN4O4S/c1-28(2)24(31)17-8-6-16(7-9-17)14-26-23(30)20-4-3-5-22-21(20)15-27-29(22)19-12-10-18(25)11-13-19;24-16-5-7-17(8-6-16)28-21-3-1-2-18(19(21)13-26-28)23(30)25-12-14-4-9-20-15(10-14)11-22(29)27-20;23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27;1-31(29,30)17-10-5-14(20(23)11-17)12-25-22(28)18-3-2-4-21-19(18)13-26-27(21)16-8-6-15(24)7-9-16;22-16-5-7-17(8-6-16)26-20-4-1-3-18(19(20)15-24-26)21(27)23-9-2-14-31(28,29)25-10-12-30-13-11-25/h3-13,15H,14H2,1-2H3,(H,26,30);1-10,13H,11-12H2,(H,25,30)(H,27,29);1-10,12H,11H2,(H,28,31);2-11,13H,12H2,1H3,(H,25,28);1,3-8,15H,2,9-14H2,(H,23,27)
InChIKeyIXBTVFMLFGAPFX-UHFFFAOYSA-N
MW2185.56 g/mol
LogP19.76
Rot. Bonds25

About N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide

N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide (PubChem CID 158831335) has the molecular formula C112H92Cl3F7N18O12S2 and a molecular weight of 2185.56 g/mol. Its IUPAC name is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide
PubChem CID158831335
Molecular FormulaC112H92Cl3F7N18O12S2
Molecular Weight2185.56 g/mol
Exact Mass2182.55
IUPAC NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(Cl)c1.O=C(NCCCS(=O)(=O)N1CCOCC1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1.O=C1Cc2cc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C24H21FN4O2.C23H17FN4O2.C22H14Cl2F3N3O.C22H17ClFN3O3S.C21H23FN4O4S/c1-28(2)24(31)17-8-6-16(7-9-17)14-26-23(30)20-4-3-5-22-21(20)15-27-29(22)19-12-10-18(25)11-13-19;24-16-5-7-17(8-6-16)28-21-3-1-2-18(19(21)13-26-28)23(30)25-12-14-4-9-20-15(10-14)11-22(29)27-20;23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27;1-31(29,30)17-10-5-14(20(23)11-17)12-25-22(28)18-3-2-4-21-19(18)13-26-27(21)16-8-6-15(24)7-9-16;22-16-5-7-17(8-6-16)26-20-4-1-3-18(19(20)15-24-26)21(27)23-9-2-14-31(28,29)25-10-12-30-13-11-25/h3-13,15H,14H2,1-2H3,(H,26,30);1-10,13H,11-12H2,(H,25,30)(H,27,29);1-10,12H,11H2,(H,28,31);2-11,13H,12H2,1H3,(H,25,28);1,3-8,15H,2,9-14H2,(H,23,27)
InChIKeyIXBTVFMLFGAPFX-UHFFFAOYSA-N
XLogP19.76
TPSA364.76 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002185.56
LogP ≤ 519.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide (CID 158831335) is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(Cl)c1.O=C(NCCCS(=O)(=O)N1CCOCC1)c1cccc2c1cnn2-c1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1.O=C1Cc2cc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)ccc2N1.
What is the InChIKey of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide?
The InChIKey is IXBTVFMLFGAPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2.C23H17FN4O2.C22H14Cl2F3N3O.C22H17ClFN3O3S.C21H23FN4O4S/c1-28(2)24(31)17-8-6-16(7-9-17)14-26-23(30)20-4-3-5-22-21(20)15-27-29(22)19-12-10-18(25)11-13-19;24-16-5-7-17(8-6-16)28-21-3-1-2-18(19(21)13-26-28)23(30)25-12-14-4-9-20-15(10-14)11-22(29)27-20;23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27;1-31(29,30)17-10-5-14(20(23)11-17)12-25-22(28)18-3-2-4-21-19(18)13-26-27(21)16-8-6-15(24)7-9-16;22-16-5-7-17(8-6-16)26-20-4-1-3-18(19(20)15-24-26)21(27)23-9-2-14-31(28,29)25-10-12-30-13-11-25/h3-13,15H,14H2,1-2H3,(H,26,30);1-10,13H,11-12H2,(H,25,30)(H,27,29);1-10,12H,11H2,(H,28,31);2-11,13H,12H2,1H3,(H,25,28);1,3-8,15H,2,9-14H2,(H,23,27).
What are the key properties of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide?
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide has a molecular weight of 2185.56 g/mol, XLogP of 19.76, 25 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylpropyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 158831335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).