magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate

C102H122BrCl8F2MgN31O16 — CID 172954170

About magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate

magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate (PubChem CID 172954170) has the molecular formula C102H122BrCl8F2MgN31O16 and a molecular weight of 2466.14 g/mol. Its IUPAC name is magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate.

Molecular Properties

• Compound Name: magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate
• PubChem CID: 172954170
• Molecular Formula: C102H122BrCl8F2MgN31O16
• Molecular Weight: 2466.14 g/mol
• Exact Mass: 2459.63
• IUPAC Name: magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate
• SMILES: C1CCOC1.CC(=O)c1cnc(Cl)cc1Cl.CCOC.CON(C)C(=O)c1cnc(Cl)cc1Cl.Cc1[nH]nc2cc(Cl)ncc12.Cc1nn(C)c2cc(Cl)ncc12.Cc1nn(C)c2nc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)n3)ncc12.Cc1nn(C)c2nc(/C(N)=N/O)ccc12.O.O=C(NCC(=O)N1CCC(C(=O)O)CC1)c1ccccc1.O=C(O)c1cnc(Cl)cc1Cl.[2H]CF.[2H]CF.[Br-].[C-]#[N+]c1cc2c(cn1)c(C)nn2C.[CH3-].[H]/N=N/[H].[H][H].[Mg+2]
• InChI: InChI=1S/C23H24N8O3.C15H18N2O4.C9H11N5O.C9H8N4.C8H8Cl2N2O2.C8H8ClN3.C7H5Cl2NO.C7H6ClN3.C6H3Cl2NO2.C4H8O.C3H8O.2CH3F.CH3.BrH.Mg.H2N2.H2O.H2/c1-14-17-12-24-19(26-21(17)30(2)28-14)20-27-23(34-29-20)16-8-10-31(11-9-16)18(32)13-25-22(33)15-6-4-3-5-7-15;18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11;1-5-6-3-4-7(8(10)13-15)11-9(6)14(2)12-5;1-6-7-5-11-9(10-2)4-8(7)13(3)12-6;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;1-4-5-3-9-7(8)2-6(5)11-10-4;7-4-1-5(8)9-2-3(4)6(10)11;1-2-4-5-3-1;1-3-4-2;2*1-2;;;;1-2;;/h3-7,12,16H,8-11,13H2,1-2H3,(H,25,33);1-5,12H,6-10H2,(H,16,19)(H,20,21);3-4,15H,1-2H3,(H2,10,13);4-5H,1,3H3;3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,10,11);1-2H,(H,10,11);1-4H2;3H2,1-2H3;2*1H3;1H3;1H;;1-2H;1H2;1H/q;;;;;;;;;;;;;-1;;+2;;;/p-1/b;;;;;;;;;;;;;;;;2-1+;;/i;;;;;;;;;;;2*1D
• InChIKey: VBSBZFGDGFDLFP-OXMKZWMLSA-M
• XLogP: 15.06
• TPSA: 635.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 15
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2466.14
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate?

The IUPAC name of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate (CID 172954170) is magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate.

What is the SMILES notation for magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate?

The canonical SMILES for magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate is C1CCOC1.CC(=O)c1cnc(Cl)cc1Cl.CCOC.CON(C)C(=O)c1cnc(Cl)cc1Cl.Cc1[nH]nc2cc(Cl)ncc12.Cc1nn(C)c2cc(Cl)ncc12.Cc1nn(C)c2nc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)n3)ncc12.Cc1nn(C)c2nc(/C(N)=N/O)ccc12.O.O=C(NCC(=O)N1CCC(C(=O)O)CC1)c1ccccc1.O=C(O)c1cnc(Cl)cc1Cl.[2H]CF.[2H]CF.[Br-].[C-]#[N+]c1cc2c(cn1)c(C)nn2C.[CH3-].[H]/N=N/[H].[H][H].[Mg+2].

What is the InChIKey of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate?

The InChIKey is VBSBZFGDGFDLFP-OXMKZWMLSA-M. The full InChI is InChI=1S/C23H24N8O3.C15H18N2O4.C9H11N5O.C9H8N4.C8H8Cl2N2O2.C8H8ClN3.C7H5Cl2NO.C7H6ClN3.C6H3Cl2NO2.C4H8O.C3H8O.2CH3F.CH3.BrH.Mg.H2N2.H2O.H2/c1-14-17-12-24-19(26-21(17)30(2)28-14)20-27-23(34-29-20)16-8-10-31(11-9-16)18(32)13-25-22(33)15-6-4-3-5-7-15;18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11;1-5-6-3-4-7(8(10)13-15)11-9(6)14(2)12-5;1-6-7-5-11-9(10-2)4-8(7)13(3)12-6;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;1-4-5-3-9-7(8)2-6(5)11-10-4;7-4-1-5(8)9-2-3(4)6(10)11;1-2-4-5-3-1;1-3-4-2;2*1-2;;;;1-2;;/h3-7,12,16H,8-11,13H2,1-2H3,(H,25,33);1-5,12H,6-10H2,(H,16,19)(H,20,21);3-4,15H,1-2H3,(H2,10,13);4-5H,1,3H3;3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,10,11);1-2H,(H,10,11);1-4H2;3H2,1-2H3;2*1H3;1H3;1H;;1-2H;1H2;1H/q;;;;;;;;;;;;;-1;;+2;;;/p-1/b;;;;;;;;;;;;;;;;2-1+;;/i;;;;;;;;;;;2*1D;;;;;;.

What are the key properties of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate?

magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate has a molecular weight of 2466.14 g/mol, XLogP of 15.06, 15 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine;6-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine;deuterio(fluoro)methane;diazene;4,6-dichloro-N-methoxy-N-methylpyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;1-(4,6-dichloro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;bromide;hydrate is sourced from PubChem (CID 172954170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).