magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide

C82H93BCl10IMgN23O9 — CID 158782233

IUPACmagnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide
SMILESC.CC(=O)c1cnc(Cl)cc1Cl.CNN.CON(C)C(=O)c1cnc(Cl)cc1Cl.Cc1nn(C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ncc12.Cc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)ncc12.Cc1nn(C)c2cc(Cl)ncc12.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.O=C(O)c1cnc(Cl)cc1Cl.[CH3-].[I-].[Mg+2]
InChIInChI=1S/C22H22ClN7O.C14H20BN3O2.C14H14Cl2N4O.C8H8Cl2N2O2.C8H8ClN3.C7H5Cl2NO.C6H3Cl2NO2.CH6N2.CH4.CH3.HI.Mg/c1-14-17-13-24-18(11-20(17)29(2)28-14)19-12-21(25-16-5-3-15(23)4-6-16)27-22(26-19)30-7-9-31-10-8-30;1-9-10-8-16-12(7-11(10)18(6)17-9)15-19-13(2,3)14(4,5)20-15;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-12(14-2)8(13)5-4-11-7(10)3-6(5)9;1-5-6-4-10-8(9)3-7(6)12(2)11-5;1-4(11)5-3-10-7(9)2-6(5)8;7-4-1-5(8)9-2-3(4)6(10)11;1-3-2;;;;/h3-6,11-13H,7-10H2,1-2H3,(H,25,26,27);7-8H,1-6H3;1-4,9H,5-8H2,(H,17,18,19);3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;1-2H,(H,10,11);3H,2H2,1H3;1H4;1H3;1H;/q;;;;;;;;;-1;;+2/p-1
InChIKeyVSKMMFNWFYOITM-UHFFFAOYSA-M
MW2061.35 g/mol
LogP14.33
Rot. Bonds12

About magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide

magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide (PubChem CID 158782233) has the molecular formula C82H93BCl10IMgN23O9 and a molecular weight of 2061.35 g/mol. Its IUPAC name is magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide.

Molecular Properties

Compound Namemagnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide
PubChem CID158782233
Molecular FormulaC82H93BCl10IMgN23O9
Molecular Weight2061.35 g/mol
Exact Mass2055.34
IUPAC Namemagnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide
SMILESC.CC(=O)c1cnc(Cl)cc1Cl.CNN.CON(C)C(=O)c1cnc(Cl)cc1Cl.Cc1nn(C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ncc12.Cc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)ncc12.Cc1nn(C)c2cc(Cl)ncc12.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.O=C(O)c1cnc(Cl)cc1Cl.[CH3-].[I-].[Mg+2]
InChIInChI=1S/C22H22ClN7O.C14H20BN3O2.C14H14Cl2N4O.C8H8Cl2N2O2.C8H8ClN3.C7H5Cl2NO.C6H3Cl2NO2.CH6N2.CH4.CH3.HI.Mg/c1-14-17-13-24-18(11-20(17)29(2)28-14)19-12-21(25-16-5-3-15(23)4-6-16)27-22(26-19)30-7-9-31-10-8-30;1-9-10-8-16-12(7-11(10)18(6)17-9)15-19-13(2,3)14(4,5)20-15;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-12(14-2)8(13)5-4-11-7(10)3-6(5)9;1-5-6-4-10-8(9)3-7(6)12(2)11-5;1-4(11)5-3-10-7(9)2-6(5)8;7-4-1-5(8)9-2-3(4)6(10)11;1-3-2;;;;/h3-6,11-13H,7-10H2,1-2H3,(H,25,26,27);7-8H,1-6H3;1-4,9H,5-8H2,(H,17,18,19);3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;1-2H,(H,10,11);3H,2H2,1H3;1H4;1H3;1H;/q;;;;;;;;;-1;;+2/p-1
InChIKeyVSKMMFNWFYOITM-UHFFFAOYSA-M
XLogP14.33
TPSA371.78 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002061.35
LogP ≤ 514.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide?
The IUPAC name of magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide (CID 158782233) is magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide.
What is the SMILES notation for magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide?
The canonical SMILES for magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide is C.CC(=O)c1cnc(Cl)cc1Cl.CNN.CON(C)C(=O)c1cnc(Cl)cc1Cl.Cc1nn(C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ncc12.Cc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)ncc12.Cc1nn(C)c2cc(Cl)ncc12.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.O=C(O)c1cnc(Cl)cc1Cl.[CH3-].[I-].[Mg+2].
What is the InChIKey of magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide?
The InChIKey is VSKMMFNWFYOITM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22ClN7O.C14H20BN3O2.C14H14Cl2N4O.C8H8Cl2N2O2.C8H8ClN3.C7H5Cl2NO.C6H3Cl2NO2.CH6N2.CH4.CH3.HI.Mg/c1-14-17-13-24-18(11-20(17)29(2)28-14)19-12-21(25-16-5-3-15(23)4-6-16)27-22(26-19)30-7-9-31-10-8-30;1-9-10-8-16-12(7-11(10)18(6)17-9)15-19-13(2,3)14(4,5)20-15;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-12(14-2)8(13)5-4-11-7(10)3-6(5)9;1-5-6-4-10-8(9)3-7(6)12(2)11-5;1-4(11)5-3-10-7(9)2-6(5)8;7-4-1-5(8)9-2-3(4)6(10)11;1-3-2;;;;/h3-6,11-13H,7-10H2,1-2H3,(H,25,26,27);7-8H,1-6H3;1-4,9H,5-8H2,(H,17,18,19);3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;1-2H,(H,10,11);3H,2H2,1H3;1H4;1H3;1H;/q;;;;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide?
magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide has a molecular weight of 2061.35 g/mol, XLogP of 14.33, 12 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;N-(4-chlorophenyl)-6-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]pyridine;methane;methylhydrazine;iodide is sourced from PubChem (CID 158782233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).