magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide

C107H97BrClF5MgN13O9P3 — CID 172962469

IUPACmagnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide
SMILESC/C(=N\O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(=NP(=O)(c1ccccc1)c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCOC(=O)/C=C/C(C)=O.ClP(c1ccccc1)c1ccccc1.NO.O=Cc1ccc2c(cnn2-c2ccc(F)cc2)c1.[2H]CP.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C27H21FN3OP.C15H12FN3O.C15H13FN2O.C15H11FN2O.C14H9FN2O.C12H10ClP.C7H10O3.CH5P.CH3.BrH.Mg.H3NO/c1-20(30-33(32,25-8-4-2-5-9-25)26-10-6-3-7-11-26)21-12-17-27-22(18-21)19-29-31(27)24-15-13-23(28)14-16-24;1-10(18-20)11-2-7-15-12(8-11)9-17-19(15)14-5-3-13(16)4-6-14;2*1-10(19)11-2-7-15-12(8-11)9-17-18(15)14-5-3-13(16)4-6-14;15-12-2-4-13(5-3-12)17-14-6-1-10(9-18)7-11(14)8-16-17;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-10-7(9)5-4-6(2)8;1-2;;;;1-2/h2-19H,1H3;2-9,20H,1H3;2-10,19H,1H3;2-9H,1H3;1-9H;1-10H;4-5H,3H2,1-2H3;2H2,1H3;1H3;1H;;2H,1H2/q;;;;;;;;-1;;+2;/p-1/b;18-10+;;;;;5-4+;;;;;/i;;;;;;;1D;;;;
InChIKeyKZTYUBAVHGPVIT-ZACMGQRGSA-M
MW2037.62 g/mol
LogP19.69
Rot. Bonds18

About magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide

magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide (PubChem CID 172962469) has the molecular formula C107H97BrClF5MgN13O9P3 and a molecular weight of 2037.62 g/mol. Its IUPAC name is magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide.

Molecular Properties

Compound Namemagnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide
PubChem CID172962469
Molecular FormulaC107H97BrClF5MgN13O9P3
Molecular Weight2037.62 g/mol
Exact Mass2034.55
IUPAC Namemagnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide
SMILESC/C(=N\O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(=NP(=O)(c1ccccc1)c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCOC(=O)/C=C/C(C)=O.ClP(c1ccccc1)c1ccccc1.NO.O=Cc1ccc2c(cnn2-c2ccc(F)cc2)c1.[2H]CP.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C27H21FN3OP.C15H12FN3O.C15H13FN2O.C15H11FN2O.C14H9FN2O.C12H10ClP.C7H10O3.CH5P.CH3.BrH.Mg.H3NO/c1-20(30-33(32,25-8-4-2-5-9-25)26-10-6-3-7-11-26)21-12-17-27-22(18-21)19-29-31(27)24-15-13-23(28)14-16-24;1-10(18-20)11-2-7-15-12(8-11)9-17-19(15)14-5-3-13(16)4-6-14;2*1-10(19)11-2-7-15-12(8-11)9-17-18(15)14-5-3-13(16)4-6-14;15-12-2-4-13(5-3-12)17-14-6-1-10(9-18)7-11(14)8-16-17;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-10-7(9)5-4-6(2)8;1-2;;;;1-2/h2-19H,1H3;2-9,20H,1H3;2-10,19H,1H3;2-9H,1H3;1-9H;1-10H;4-5H,3H2,1-2H3;2H2,1H3;1H3;1H;;2H,1H2/q;;;;;;;;-1;;+2;/p-1/b;18-10+;;;;;5-4+;;;;;/i;;;;;;;1D;;;;
InChIKeyKZTYUBAVHGPVIT-ZACMGQRGSA-M
XLogP19.69
TPSA295.11 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.62
LogP ≤ 519.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide with MolForge

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Related Compounds

Magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide
CID 159485010
Magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide
CID 159669668
Magnesium;benzene;bis(dichloromethane);1-(4-fluorophenyl)indazole-5-carbaldehyde;1-(4-fluorophenyl)indazole-5-carbonitrile;methane;oxolane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-phenylethanol;bromide
CID 160059289
Magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindazole-5-carbaldehyde;1-phenylindazole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindazol-5-yl)ethanol;bromide
CID 161660541
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 162192653
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)-3-methylindole-5-carboxylic acid;1-(4-fluorophenyl)-3-methylindole-5-carboxylic acid;3-methyl-1-phenylindole-5-carboxylic acid
CID 157736903
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)-3-methylindole-5-carboxylic acid;1-(4-fluorophenyl)-3-methylindole-5-carboxylic acid;3-methyl-1-phenylindole-5-carboxylic acid
CID 160140576
Methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
CID 160779715

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide?
The IUPAC name of magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide (CID 172962469) is magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide.
What is the SMILES notation for magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide?
The canonical SMILES for magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide is C/C(=N\O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(=NP(=O)(c1ccccc1)c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CCOC(=O)/C=C/C(C)=O.ClP(c1ccccc1)c1ccccc1.NO.O=Cc1ccc2c(cnn2-c2ccc(F)cc2)c1.[2H]CP.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide?
The InChIKey is KZTYUBAVHGPVIT-ZACMGQRGSA-M. The full InChI is InChI=1S/C27H21FN3OP.C15H12FN3O.C15H13FN2O.C15H11FN2O.C14H9FN2O.C12H10ClP.C7H10O3.CH5P.CH3.BrH.Mg.H3NO/c1-20(30-33(32,25-8-4-2-5-9-25)26-10-6-3-7-11-26)21-12-17-27-22(18-21)19-29-31(27)24-15-13-23(28)14-16-24;1-10(18-20)11-2-7-15-12(8-11)9-17-19(15)14-5-3-13(16)4-6-14;2*1-10(19)11-2-7-15-12(8-11)9-17-18(15)14-5-3-13(16)4-6-14;15-12-2-4-13(5-3-12)17-14-6-1-10(9-18)7-11(14)8-16-17;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-10-7(9)5-4-6(2)8;1-2;;;;1-2/h2-19H,1H3;2-9,20H,1H3;2-10,19H,1H3;2-9H,1H3;1-9H;1-10H;4-5H,3H2,1-2H3;2H2,1H3;1H3;1H;;2H,1H2/q;;;;;;;;-1;;+2;/p-1/b;18-10+;;;;;5-4+;;;;;/i;;;;;;;1D;;;;.
What are the key properties of magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide?
magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide has a molecular weight of 2037.62 g/mol, XLogP of 19.69, 18 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;chloro(diphenyl)phosphane;deuteriomethylphosphane;N-diphenylphosphoryl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanimine;ethyl (E)-4-oxopent-2-enoate;1-(4-fluorophenyl)indazole-5-carbaldehyde;1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;(NE)-N-[1-[1-(4-fluorophenyl)indazol-5-yl]ethylidene]hydroxylamine;hydroxylamine;bromide is sourced from PubChem (CID 172962469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).