magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide

C117H113BrF10MgN18O9S3 — CID 161054921

IUPACmagnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
SMILESCC(C)(C)S(=O)N=Cc1cccc2cn[nH]c12.CC(N)c1cccc2cn[nH]c12.CC(N)c1cccc2cn[nH]c12.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2cn[nH]c12.CC(NS(=O)C(C)(C)C)c1cccc2cn[nH]c12.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2cn[nH]c12.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/2C27H20F3N3O2.C18H11F3O3.C13H19N3OS.C12H15N3OS.2C9H11N3.CH3FS.CH3.BrH.Mg/c2*1-16(22-6-2-5-19-15-31-33-25(19)22)32-26(34)18-8-13-23-17(14-18)4-3-7-24(23)35-21-11-9-20(10-12-21)27(28,29)30;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-9(16-18(17)13(2,3)4)11-7-5-6-10-8-14-15-12(10)11;1-12(2,3)17(16)14-8-10-6-4-5-9-7-13-15-11(9)10;2*1-6(10)8-4-2-3-7-5-11-12-9(7)8;1-3-2;;;/h2*2-16H,1H3,(H,31,33)(H,32,34);1-10H,(H,22,23);5-9,16H,1-4H3,(H,14,15);4-8H,1-3H3,(H,13,15);2*2-6H,10H2,1H3,(H,11,12);1H3;1H3;1H;/q;;;;;;;;-1;;+2/p-1/t16-;;;;;;;;;;/m1........../s1
InChIKeyNPDDRUIQZDLMCP-GTMLNHSISA-M
MW2305.70 g/mol
LogP25.98
Rot. Bonds20

About magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide

magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide (PubChem CID 161054921) has the molecular formula C117H113BrF10MgN18O9S3 and a molecular weight of 2305.70 g/mol. Its IUPAC name is magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide.

Molecular Properties

Compound Namemagnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
PubChem CID161054921
Molecular FormulaC117H113BrF10MgN18O9S3
Molecular Weight2305.70 g/mol
Exact Mass2302.70
IUPAC Namemagnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
SMILESCC(C)(C)S(=O)N=Cc1cccc2cn[nH]c12.CC(N)c1cccc2cn[nH]c12.CC(N)c1cccc2cn[nH]c12.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2cn[nH]c12.CC(NS(=O)C(C)(C)C)c1cccc2cn[nH]c12.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2cn[nH]c12.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/2C27H20F3N3O2.C18H11F3O3.C13H19N3OS.C12H15N3OS.2C9H11N3.CH3FS.CH3.BrH.Mg/c2*1-16(22-6-2-5-19-15-31-33-25(19)22)32-26(34)18-8-13-23-17(14-18)4-3-7-24(23)35-21-11-9-20(10-12-21)27(28,29)30;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-9(16-18(17)13(2,3)4)11-7-5-6-10-8-14-15-12(10)11;1-12(2,3)17(16)14-8-10-6-4-5-9-7-13-15-11(9)10;2*1-6(10)8-4-2-3-7-5-11-12-9(7)8;1-3-2;;;/h2*2-16H,1H3,(H,31,33)(H,32,34);1-10H,(H,22,23);5-9,16H,1-4H3,(H,14,15);4-8H,1-3H3,(H,13,15);2*2-6H,10H2,1H3,(H,11,12);1H3;1H3;1H;/q;;;;;;;;-1;;+2/p-1/t16-;;;;;;;;;;/m1........../s1
InChIKeyNPDDRUIQZDLMCP-GTMLNHSISA-M
XLogP25.98
TPSA405.84 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002305.70
LogP ≤ 525.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide with MolForge

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Related Compounds

magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
CID 167591724
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine
CID 167625644
3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid
CID 163796067
5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide
CID 167552624
3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
CID 167634635

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide?
The IUPAC name of magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide (CID 161054921) is magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide.
What is the SMILES notation for magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide?
The canonical SMILES for magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide is CC(C)(C)S(=O)N=Cc1cccc2cn[nH]c12.CC(N)c1cccc2cn[nH]c12.CC(N)c1cccc2cn[nH]c12.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2cn[nH]c12.CC(NS(=O)C(C)(C)C)c1cccc2cn[nH]c12.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2cn[nH]c12.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide?
The InChIKey is NPDDRUIQZDLMCP-GTMLNHSISA-M. The full InChI is InChI=1S/2C27H20F3N3O2.C18H11F3O3.C13H19N3OS.C12H15N3OS.2C9H11N3.CH3FS.CH3.BrH.Mg/c2*1-16(22-6-2-5-19-15-31-33-25(19)22)32-26(34)18-8-13-23-17(14-18)4-3-7-24(23)35-21-11-9-20(10-12-21)27(28,29)30;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-9(16-18(17)13(2,3)4)11-7-5-6-10-8-14-15-12(10)11;1-12(2,3)17(16)14-8-10-6-4-5-9-7-13-15-11(9)10;2*1-6(10)8-4-2-3-7-5-11-12-9(7)8;1-3-2;;;/h2*2-16H,1H3,(H,31,33)(H,32,34);1-10H,(H,22,23);5-9,16H,1-4H3,(H,14,15);4-8H,1-3H3,(H,13,15);2*2-6H,10H2,1H3,(H,11,12);1H3;1H3;1H;/q;;;;;;;;-1;;+2/p-1/t16-;;;;;;;;;;/m1........../s1.
What are the key properties of magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide?
magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide has a molecular weight of 2305.70 g/mol, XLogP of 25.98, 20 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide is sourced from PubChem (CID 161054921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).