magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide

C72H68BrF9MgN18O23S — CID 167553376

IUPACmagnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide
SMILESC1CCOC1.CC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2[nH]ncc2cc1N.COC(=O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2[nH]ncc2cc1[N+](=O)[O-].COC(=O)c1ccc2cn[nH]c2c1.O=C(O)c1cccc(C(F)(F)F)n1.O=S(=O)(O)O.O=[N+]([O-])O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C17H15F3N4O2.C16H11F3N4O3.C9H7N3O4.C9H9N3O2.C9H8N2O2.C7H4F3NO2.C4H8O.CH3.BrH.Mg.HNO3.H2O4S/c1-16(2,26)10-7-12-9(8-21-24-12)6-13(10)23-15(25)11-4-3-5-14(22-11)17(18,19)20;1-26-15(25)9-6-11-8(7-20-23-11)5-12(9)22-14(24)10-3-2-4-13(21-10)16(17,18)19;1-16-9(13)6-3-7-5(4-10-11-7)2-8(6)12(14)15;1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8;1-13-9(12)6-2-3-7-5-10-11-8(7)4-6;8-7(9,10)5-3-1-2-4(11-5)6(12)13;1-2-4-5-3-1;;;;2-1(3)4;1-5(2,3)4/h3-8,26H,1-2H3,(H,21,24)(H,23,25);2-7H,1H3,(H,20,23)(H,22,24);2-4H,1H3,(H,10,11);2-4H,10H2,1H3,(H,11,12);2-5H,1H3,(H,10,11);1-3H,(H,12,13);1-4H2;1H3;1H;;(H,2,3,4);(H2,1,2,3,4)/q;;;;;;;-1;;+2;;/p-1
InChIKeyBFTZPHKOYVNQTC-UHFFFAOYSA-M
MW1860.70 g/mol
LogP8.68
Rot. Bonds11

About magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide

magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide (PubChem CID 167553376) has the molecular formula C72H68BrF9MgN18O23S and a molecular weight of 1860.70 g/mol. Its IUPAC name is magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide.

Molecular Properties

Compound Namemagnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide
PubChem CID167553376
Molecular FormulaC72H68BrF9MgN18O23S
Molecular Weight1860.70 g/mol
Exact Mass1858.33
IUPAC Namemagnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide
SMILESC1CCOC1.CC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2[nH]ncc2cc1N.COC(=O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2[nH]ncc2cc1[N+](=O)[O-].COC(=O)c1ccc2cn[nH]c2c1.O=C(O)c1cccc(C(F)(F)F)n1.O=S(=O)(O)O.O=[N+]([O-])O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C17H15F3N4O2.C16H11F3N4O3.C9H7N3O4.C9H9N3O2.C9H8N2O2.C7H4F3NO2.C4H8O.CH3.BrH.Mg.HNO3.H2O4S/c1-16(2,26)10-7-12-9(8-21-24-12)6-13(10)23-15(25)11-4-3-5-14(22-11)17(18,19)20;1-26-15(25)9-6-11-8(7-20-23-11)5-12(9)22-14(24)10-3-2-4-13(21-10)16(17,18)19;1-16-9(13)6-3-7-5(4-10-11-7)2-8(6)12(14)15;1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8;1-13-9(12)6-2-3-7-5-10-11-8(7)4-6;8-7(9,10)5-3-1-2-4(11-5)6(12)13;1-2-4-5-3-1;;;;2-1(3)4;1-5(2,3)4/h3-8,26H,1-2H3,(H,21,24)(H,23,25);2-7H,1H3,(H,20,23)(H,22,24);2-4H,1H3,(H,10,11);2-4H,10H2,1H3,(H,11,12);2-5H,1H3,(H,10,11);1-3H,(H,12,13);1-4H2;1H3;1H;;(H,2,3,4);(H2,1,2,3,4)/q;;;;;;;-1;;+2;;/p-1
InChIKeyBFTZPHKOYVNQTC-UHFFFAOYSA-M
XLogP8.68
TPSA619.36 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001860.70
LogP ≤ 58.68
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide with MolForge

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Related Compounds

magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;methyl 5-[(6-methylpyridine-2-carbonyl)amino]-1H-indazole-6-carboxylate;oxolane;bromide
CID 157515266
magnesium;N-(6-acetyl-1H-indazol-5-yl)-6-methylpyridine-2-carboxamide;1-(5-amino-1H-indazol-6-yl)ethanone;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;1-(1H-indazol-6-yl)ethanone;methane;6-methylpyridine-2-carboxylic acid;nitric acid;1-(5-nitro-1H-indazol-6-yl)ethanone;oxolane;sulfuric acid;bromide
CID 158416272
ethyl 5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carboxylate;5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carboxylic acid;[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-(4-methylpiperazin-1-yl)methanone;[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-morpholin-4-ylmethanone
CID 160778313
magnesium;N-(6-acetyl-1H-indazol-5-yl)-6-methylpyridine-2-carboxamide;1-(5-amino-1H-indazol-6-yl)ethanone;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;1-(1H-indazol-6-yl)ethanone;6-methylpyridine-2-carboxylic acid;nitric acid;1-(5-nitro-1H-indazol-6-yl)ethanone;oxolane;sulfuric acid;bromide
CID 161278266
dicesium;magnesium;3a,7a-dihydro-1H-indazol-5-amine;carbanide;fluoromethyl deuteriomethaneperoxoate;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methylpyridine-2-carboxamide);N-(1H-indazol-5-yl)-6-methylpyridine-2-carboxamide;methyl 3-methylcyclobutane-1-carboxylate;bis(methyl 3-[5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);6-methylpyridine-2-carboxylic acid;5-nitro-3a,7a-dihydro-1H-indazole;oxolane;bromide
CID 165073656

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide?
The IUPAC name of magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide (CID 167553376) is magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide.
What is the SMILES notation for magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide?
The canonical SMILES for magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide is C1CCOC1.CC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2[nH]ncc2cc1N.COC(=O)c1cc2[nH]ncc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2[nH]ncc2cc1[N+](=O)[O-].COC(=O)c1ccc2cn[nH]c2c1.O=C(O)c1cccc(C(F)(F)F)n1.O=S(=O)(O)O.O=[N+]([O-])O.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide?
The InChIKey is BFTZPHKOYVNQTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15F3N4O2.C16H11F3N4O3.C9H7N3O4.C9H9N3O2.C9H8N2O2.C7H4F3NO2.C4H8O.CH3.BrH.Mg.HNO3.H2O4S/c1-16(2,26)10-7-12-9(8-21-24-12)6-13(10)23-15(25)11-4-3-5-14(22-11)17(18,19)20;1-26-15(25)9-6-11-8(7-20-23-11)5-12(9)22-14(24)10-3-2-4-13(21-10)16(17,18)19;1-16-9(13)6-3-7-5(4-10-11-7)2-8(6)12(14)15;1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8;1-13-9(12)6-2-3-7-5-10-11-8(7)4-6;8-7(9,10)5-3-1-2-4(11-5)6(12)13;1-2-4-5-3-1;;;;2-1(3)4;1-5(2,3)4/h3-8,26H,1-2H3,(H,21,24)(H,23,25);2-7H,1H3,(H,20,23)(H,22,24);2-4H,1H3,(H,10,11);2-4H,10H2,1H3,(H,11,12);2-5H,1H3,(H,10,11);1-3H,(H,12,13);1-4H2;1H3;1H;;(H,2,3,4);(H2,1,2,3,4)/q;;;;;;;-1;;+2;;/p-1.
What are the key properties of magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide?
magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide has a molecular weight of 1860.70 g/mol, XLogP of 8.68, 11 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 5-amino-1H-indazole-6-carboxylate;methyl 1H-indazole-6-carboxylate;methyl 5-nitro-1H-indazole-6-carboxylate;methyl 5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate;nitric acid;oxolane;sulfuric acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide is sourced from PubChem (CID 167553376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).