magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride

C60H63ClMgN9O12P — CID 157133203

IUPACmagnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride
SMILESC/C(=C\C(=O)O)c1n[nH]c2ccccc12.CC(=O)c1n[nH]c2ccccc12.CCOC(=O)/C=C(/C)c1n[nH]c2ccccc12.CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1.CON(C)C(=O)c1n[nH]c2ccccc12.[CH3-].[Cl-].[Mg+2]
InChIInChI=1S/C16H17O5P.C13H14N2O2.C11H10N2O2.C10H11N3O2.C9H8N2O.CH3.ClH.Mg/c1-2-19-16(17)13-22(18,20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15;1-3-17-12(16)8-9(2)13-10-6-4-5-7-11(10)14-15-13;1-7(6-10(14)15)11-8-4-2-3-5-9(8)12-13-11;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;1-6(12)9-7-4-2-3-5-8(7)10-11-9;;;/h3-12H,2,13H2,1H3;4-8H,3H2,1-2H3,(H,14,15);2-6H,1H3,(H,12,13)(H,14,15);3-6H,1-2H3,(H,11,12);2-5H,1H3,(H,10,11);1H3;1H;/q;;;;;-1;;+2/p-1/b;9-8-;7-6+;;;;;
InChIKeyOOAZITWNOUWGOM-ACYBAMMLSA-M
MW1192.95 g/mol
LogP8.52
Rot. Bonds15

About magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride

magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride (PubChem CID 157133203) has the molecular formula C60H63ClMgN9O12P and a molecular weight of 1192.95 g/mol. Its IUPAC name is magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride.

Molecular Properties

Compound Namemagnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride
PubChem CID157133203
Molecular FormulaC60H63ClMgN9O12P
Molecular Weight1192.95 g/mol
Exact Mass1191.39
IUPAC Namemagnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride
SMILESC/C(=C\C(=O)O)c1n[nH]c2ccccc12.CC(=O)c1n[nH]c2ccccc12.CCOC(=O)/C=C(/C)c1n[nH]c2ccccc12.CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1.CON(C)C(=O)c1n[nH]c2ccccc12.[CH3-].[Cl-].[Mg+2]
InChIInChI=1S/C16H17O5P.C13H14N2O2.C11H10N2O2.C10H11N3O2.C9H8N2O.CH3.ClH.Mg/c1-2-19-16(17)13-22(18,20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15;1-3-17-12(16)8-9(2)13-10-6-4-5-7-11(10)14-15-13;1-7(6-10(14)15)11-8-4-2-3-5-9(8)12-13-11;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;1-6(12)9-7-4-2-3-5-8(7)10-11-9;;;/h3-12H,2,13H2,1H3;4-8H,3H2,1-2H3,(H,14,15);2-6H,1H3,(H,12,13)(H,14,15);3-6H,1-2H3,(H,11,12);2-5H,1H3,(H,10,11);1H3;1H;/q;;;;;-1;;+2/p-1/b;9-8-;7-6+;;;;;
InChIKeyOOAZITWNOUWGOM-ACYBAMMLSA-M
XLogP8.52
TPSA286.76 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.95
LogP ≤ 58.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 161067115

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride?
The IUPAC name of magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride (CID 157133203) is magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride.
What is the SMILES notation for magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride?
The canonical SMILES for magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride is C/C(=C\C(=O)O)c1n[nH]c2ccccc12.CC(=O)c1n[nH]c2ccccc12.CCOC(=O)/C=C(/C)c1n[nH]c2ccccc12.CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1.CON(C)C(=O)c1n[nH]c2ccccc12.[CH3-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride?
The InChIKey is OOAZITWNOUWGOM-ACYBAMMLSA-M. The full InChI is InChI=1S/C16H17O5P.C13H14N2O2.C11H10N2O2.C10H11N3O2.C9H8N2O.CH3.ClH.Mg/c1-2-19-16(17)13-22(18,20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15;1-3-17-12(16)8-9(2)13-10-6-4-5-7-11(10)14-15-13;1-7(6-10(14)15)11-8-4-2-3-5-9(8)12-13-11;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;1-6(12)9-7-4-2-3-5-8(7)10-11-9;;;/h3-12H,2,13H2,1H3;4-8H,3H2,1-2H3,(H,14,15);2-6H,1H3,(H,12,13)(H,14,15);3-6H,1-2H3,(H,11,12);2-5H,1H3,(H,10,11);1H3;1H;/q;;;;;-1;;+2/p-1/b;9-8-;7-6+;;;;;.
What are the key properties of magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride?
magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride has a molecular weight of 1192.95 g/mol, XLogP of 8.52, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride is sourced from PubChem (CID 157133203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).