N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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

C126H120BrF5N24O13S4 — CID 158571301

IUPACN-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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
SMILESCC(CCN(C)C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)cc3c2cnn3-c2ccc(F)cc2)cc1.CCCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CN1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C29H31FN6O3S.C28H27FN6O3S.C24H23FN4O3S.C23H21FN4O3S.C22H18BrFN4O/c1-20(13-14-34(2)3)35(4)40(38,39)25-11-5-21(6-12-25)18-32-29(37)26-15-22(17-31)16-28-27(26)19-33-36(28)24-9-7-23(30)8-10-24;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(14-6-11-21(23)25-12-14)27-22(29)17-4-3-5-20-18(17)13-26-28(20)16-9-7-15(24)8-10-16/h5-12,15-16,19-20H,13-14,18H2,1-4H3,(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);3-13,19H,2H2,1H3,(H,27,29)/t;;;20-;19-/m...00/s1
InChIKeyHSCOJZGQTSEPME-GNXRACEZSA-N
MW2481.66 g/mol
LogP20.55
Rot. Bonds35

About N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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

N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 158571301) has the molecular formula C126H120BrF5N24O13S4 and a molecular weight of 2481.66 g/mol. Its IUPAC name is N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 NameN-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 CID158571301
Molecular FormulaC126H120BrF5N24O13S4
Molecular Weight2481.66 g/mol
Exact Mass2478.75
IUPAC NameN-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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
SMILESCC(CCN(C)C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)cc3c2cnn3-c2ccc(F)cc2)cc1.CCCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CN1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C29H31FN6O3S.C28H27FN6O3S.C24H23FN4O3S.C23H21FN4O3S.C22H18BrFN4O/c1-20(13-14-34(2)3)35(4)40(38,39)25-11-5-21(6-12-25)18-32-29(37)26-15-22(17-31)16-28-27(26)19-33-36(28)24-9-7-23(30)8-10-24;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(14-6-11-21(23)25-12-14)27-22(29)17-4-3-5-20-18(17)13-26-28(20)16-9-7-15(24)8-10-16/h5-12,15-16,19-20H,13-14,18H2,1-4H3,(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);3-13,19H,2H2,1H3,(H,27,29)/t;;;20-;19-/m...00/s1
InChIKeyHSCOJZGQTSEPME-GNXRACEZSA-N
XLogP20.55
TPSA479.16 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002481.66
LogP ≤ 520.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 158571301) is N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 CC(CCN(C)C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)cc3c2cnn3-c2ccc(F)cc2)cc1.CCCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.CC[C@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CN1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 HSCOJZGQTSEPME-GNXRACEZSA-N. The full InChI is InChI=1S/C29H31FN6O3S.C28H27FN6O3S.C24H23FN4O3S.C23H21FN4O3S.C22H18BrFN4O/c1-20(13-14-34(2)3)35(4)40(38,39)25-11-5-21(6-12-25)18-32-29(37)26-15-22(17-31)16-28-27(26)19-33-36(28)24-9-7-23(30)8-10-24;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(14-6-11-21(23)25-12-14)27-22(29)17-4-3-5-20-18(17)13-26-28(20)16-9-7-15(24)8-10-16/h5-12,15-16,19-20H,13-14,18H2,1-4H3,(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);3-13,19H,2H2,1H3,(H,27,29)/t;;;20-;19-/m...00/s1.
What are the key properties of N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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?
N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 2481.66 g/mol, XLogP of 20.55, 35 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-bromo-3-pyridinyl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide;6-cyano-N-[[4-[4-(dimethylamino)butan-2-yl-methylsulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)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 158571301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).