6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide

C126H117Br2F5N24O13S4 — CID 158756682

IUPAC6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide
SMILESCCCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CC[C@H](NC(=O)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CN1CCC(N(C)S(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1.CN1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C29H29FN6O3S.C28H27FN6O3S.C24H23FN4O3S.C23H21FN4O3S.C22H17Br2FN4O/c1-34-13-11-23(12-14-34)35(2)40(38,39)25-9-3-20(4-10-25)18-32-29(37)26-15-21(17-31)16-28-27(26)19-33-36(28)24-7-5-22(30)6-8-24;1-34-12-10-22(11-13-34)33-39(37,38)24-8-2-19(3-9-24)17-31-28(36)25-14-20(16-30)15-27-26(25)18-32-35(27)23-6-4-21(29)5-7-23;1-3-5-21(16-8-13-23(26-14-16)33(2,31)32)28-24(30)19-6-4-7-22-20(19)15-27-29(22)18-11-9-17(25)10-12-18;1-3-20(15-7-12-22(25-13-15)32(2,30)31)27-23(29)18-5-4-6-21-19(18)14-26-28(21)17-10-8-16(24)9-11-17;1-2-19(13-3-8-21(24)26-11-13)28-22(30)17-9-14(23)10-20-18(17)12-27-29(20)16-6-4-15(25)5-7-16/h3-10,15-16,19,23H,11-14,18H2,1-2H3,(H,32,37);2-9,14-15,18,22,33H,10-13,17H2,1H3,(H,31,36);4,6-15,21H,3,5H2,1-2H3,(H,28,30);4-14,20H,3H2,1-2H3,(H,27,29);3-12,19H,2H2,1H3,(H,28,30)/t;;;20-;19-/m...00/s1
InChIKeyIODUMUZHIXFPJK-GNXRACEZSA-N
MW2558.54 g/mol
LogP21.06
Rot. Bonds32

About 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide

6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide (PubChem CID 158756682) has the molecular formula C126H117Br2F5N24O13S4 and a molecular weight of 2558.54 g/mol. Its IUPAC name is 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide
PubChem CID158756682
Molecular FormulaC126H117Br2F5N24O13S4
Molecular Weight2558.54 g/mol
Exact Mass2554.64
IUPAC Name6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide
SMILESCCCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CC[C@H](NC(=O)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CN1CCC(N(C)S(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1.CN1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C29H29FN6O3S.C28H27FN6O3S.C24H23FN4O3S.C23H21FN4O3S.C22H17Br2FN4O/c1-34-13-11-23(12-14-34)35(2)40(38,39)25-9-3-20(4-10-25)18-32-29(37)26-15-21(17-31)16-28-27(26)19-33-36(28)24-7-5-22(30)6-8-24;1-34-12-10-22(11-13-34)33-39(37,38)24-8-2-19(3-9-24)17-31-28(36)25-14-20(16-30)15-27-26(25)18-32-35(27)23-6-4-21(29)5-7-23;1-3-5-21(16-8-13-23(26-14-16)33(2,31)32)28-24(30)19-6-4-7-22-20(19)15-27-29(22)18-11-9-17(25)10-12-18;1-3-20(15-7-12-22(25-13-15)32(2,30)31)27-23(29)18-5-4-6-21-19(18)14-26-28(21)17-10-8-16(24)9-11-17;1-2-19(13-3-8-21(24)26-11-13)28-22(30)17-9-14(23)10-20-18(17)12-27-29(20)16-6-4-15(25)5-7-16/h3-10,15-16,19,23H,11-14,18H2,1-2H3,(H,32,37);2-9,14-15,18,22,33H,10-13,17H2,1H3,(H,31,36);4,6-15,21H,3,5H2,1-2H3,(H,28,30);4-14,20H,3H2,1-2H3,(H,27,29);3-12,19H,2H2,1H3,(H,28,30)/t;;;20-;19-/m...00/s1
InChIKeyIODUMUZHIXFPJK-GNXRACEZSA-N
XLogP21.06
TPSA479.16 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002558.54
LogP ≤ 521.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278387
4-[1-[(6-bromo-3-pyridinyl)methylamino]ethenyl]-1-(4-fluorophenyl)indazole-6-carbonitrile
CID 143887690
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide
CID 58138778
1-(4-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138794
N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 123317370
1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278129
1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid
CID 59278267
N-[[4-(cyclohexylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138160
1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278393
N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138813

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide?
The IUPAC name of 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide (CID 158756682) is 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide is CCCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CC[C@H](NC(=O)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CN1CCC(N(C)S(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1.CN1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide?
The InChIKey is IODUMUZHIXFPJK-GNXRACEZSA-N. The full InChI is InChI=1S/C29H29FN6O3S.C28H27FN6O3S.C24H23FN4O3S.C23H21FN4O3S.C22H17Br2FN4O/c1-34-13-11-23(12-14-34)35(2)40(38,39)25-9-3-20(4-10-25)18-32-29(37)26-15-21(17-31)16-28-27(26)19-33-36(28)24-7-5-22(30)6-8-24;1-34-12-10-22(11-13-34)33-39(37,38)24-8-2-19(3-9-24)17-31-28(36)25-14-20(16-30)15-27-26(25)18-32-35(27)23-6-4-21(29)5-7-23;1-3-5-21(16-8-13-23(26-14-16)33(2,31)32)28-24(30)19-6-4-7-22-20(19)15-27-29(22)18-11-9-17(25)10-12-18;1-3-20(15-7-12-22(25-13-15)32(2,30)31)27-23(29)18-5-4-6-21-19(18)14-26-28(21)17-10-8-16(24)9-11-17;1-2-19(13-3-8-21(24)26-11-13)28-22(30)17-9-14(23)10-20-18(17)12-27-29(20)16-6-4-15(25)5-7-16/h3-10,15-16,19,23H,11-14,18H2,1-2H3,(H,32,37);2-9,14-15,18,22,33H,10-13,17H2,1H3,(H,31,36);4,6-15,21H,3,5H2,1-2H3,(H,28,30);4-14,20H,3H2,1-2H3,(H,27,29);3-12,19H,2H2,1H3,(H,28,30)/t;;;20-;19-/m...00/s1.
What are the key properties of 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide?
6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide has a molecular weight of 2558.54 g/mol, XLogP of 21.06, 32 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]indazole-4-carboxamide is sourced from PubChem (CID 158756682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).