magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride

C130H142BrCl5F5MgN23NiO10SSi2 — CID 157436341

About magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride

magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride (PubChem CID 157436341) has the molecular formula C130H142BrCl5F5MgN23NiO10SSi2 and a molecular weight of 2710.11 g/mol. Its IUPAC name is magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride
• PubChem CID: 157436341
• Molecular Formula: C130H142BrCl5F5MgN23NiO10SSi2
• Molecular Weight: 2710.11 g/mol
• Exact Mass: 2703.73
• IUPAC Name: magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride
• SMILES: CCc1cccc(-n2nc(C)cc2C(=O)Cc2cc(C(NCC3CC3)c3ccncc3)ccc2F)c1.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cc(C(O)c3ccncc3)ccc2F)c1.C[Si](C)(C)N(c1c[c-]ccc1F)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.Cl[Ni]Cl.NCC1CC1.NCCNCCN.Nc1cc(C(O)c2ccncc2)ccc1F.O=Cc1ccncc1.O=S(Cl)Cl.[Br-].[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(O)c3ccncc3)ccc2F)c1.[Mg+2]
• InChI: InChI=1S/C30H31FN4O.C26H24FN3O2.C24H18FN5O2.C12H11FN2O.C12H21FNSi2.C12H9N3O2.C6H5NO.C4H13N3.C4H9N.BrH.Cl2OS.3ClH.Mg.Ni/c1-3-21-5-4-6-26(16-21)35-28(15-20(2)34-35)29(36)18-25-17-24(9-10-27(25)31)30(33-19-22-7-8-22)23-11-13-32-14-12-23;1-3-18-5-4-6-22(14-18)30-24(13-17(2)29-30)25(31)16-21-15-20(7-8-23(21)27)26(32)19-9-11-28-12-10-19;1-15-12-22(30(29-15)19-5-3-4-18(14-19)26-2)24(32)28-21-13-17(6-7-20(21)25)23(31)16-8-10-27-11-9-16;13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8;1-15(2,3)14(16(4,5)6)12-10-8-7-9-11(12)13;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;8-5-6-1-3-7-4-2-6;5-1-3-7-4-2-6;5-3-4-1-2-4;;1-4(2)3;;;;;/h4-6,9-17,22,30,33H,3,7-8,18-19H2,1-2H3;4-15,26,32H,3,16H2,1-2H3;3-14,23,31H,1H3,(H,28,32);1-7,12,16H,14H2;7,9-10H,1-6H3;2-6H,1H3,(H,16,17);1-5H;7H,1-6H2;4H,1-3,5H2;1H;;3*1H;;/q;;;;-1;;;;;;;;;;2*+2/p-3
• InChIKey: YXQYOYLMJLBSGJ-UHFFFAOYSA-K
• XLogP: 22.12
• TPSA: 490.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2710.11
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride?

The IUPAC name of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride (CID 157436341) is magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride.

What is the SMILES notation for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride?

The canonical SMILES for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride is CCc1cccc(-n2nc(C)cc2C(=O)Cc2cc(C(NCC3CC3)c3ccncc3)ccc2F)c1.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cc(C(O)c3ccncc3)ccc2F)c1.C[Si](C)(C)N(c1c[c-]ccc1F)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.Cl[Ni]Cl.NCC1CC1.NCCNCCN.Nc1cc(C(O)c2ccncc2)ccc1F.O=Cc1ccncc1.O=S(Cl)Cl.[Br-].[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(O)c3ccncc3)ccc2F)c1.[Mg+2].

What is the InChIKey of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride?

The InChIKey is YXQYOYLMJLBSGJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C30H31FN4O.C26H24FN3O2.C24H18FN5O2.C12H11FN2O.C12H21FNSi2.C12H9N3O2.C6H5NO.C4H13N3.C4H9N.BrH.Cl2OS.3ClH.Mg.Ni/c1-3-21-5-4-6-26(16-21)35-28(15-20(2)34-35)29(36)18-25-17-24(9-10-27(25)31)30(33-19-22-7-8-22)23-11-13-32-14-12-23;1-3-18-5-4-6-22(14-18)30-24(13-17(2)29-30)25(31)16-21-15-20(7-8-23(21)27)26(32)19-9-11-28-12-10-19;1-15-12-22(30(29-15)19-5-3-4-18(14-19)26-2)24(32)28-21-13-17(6-7-20(21)25)23(31)16-8-10-27-11-9-16;13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8;1-15(2,3)14(16(4,5)6)12-10-8-7-9-11(12)13;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;8-5-6-1-3-7-4-2-6;5-1-3-7-4-2-6;5-3-4-1-2-4;;1-4(2)3;;;;;/h4-6,9-17,22,30,33H,3,7-8,18-19H2,1-2H3;4-15,26,32H,3,16H2,1-2H3;3-14,23,31H,1H3,(H,28,32);1-7,12,16H,14H2;7,9-10H,1-6H3;2-6H,1H3,(H,16,17);1-5H;7H,1-6H2;4H,1-3,5H2;1H;;3*1H;;/q;;;;-1;;;;;;;;;;2*+2/p-3.

What are the key properties of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride?

magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride has a molecular weight of 2710.11 g/mol, XLogP of 22.12, 35 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride is sourced from PubChem (CID 157436341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).