magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride

C100H111BrClF8MgN29O15 — CID 172933137

About magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride

magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride (PubChem CID 172933137) has the molecular formula C100H111BrClF8MgN29O15 and a molecular weight of 2250.82 g/mol. Its IUPAC name is magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride
• PubChem CID: 172933137
• Molecular Formula: C100H111BrClF8MgN29O15
• Molecular Weight: 2250.82 g/mol
• Exact Mass: 2247.74
• IUPAC Name: magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride
• SMILES: C1CCOC1.CC(=O)c1ccc(F)nc1F.CNOC.CON(C)C(=O)c1ccc(F)nc1F.Cc1[nH]nc2nc(F)ccc12.Cc1nn(C)c2nc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)n3)ccc12.Cc1nn(C)c2nc(/C(N)=N/O)ccc12.Cc1nn(C)c2nc(F)ccc12.Cl.O=C(NCC(=O)N1CCC(C(=O)O)CC1)c1ccccc1.O=C(O)c1ccc(F)nc1F.[Br-].[C-]#[N+]c1ccc2c(C)nn(C)c2n1.[CH3-].[Mg+2]
• InChI: InChI=1S/C24H25N7O3.C15H18N2O4.C9H11N5O.C9H8N4.C8H8F2N2O2.C8H8FN3.C7H5F2NO.C7H6FN3.C6H3F2NO2.C4H8O.C2H7NO.CH3.BrH.ClH.Mg/c1-15-18-8-9-19(26-22(18)30(2)28-15)21-27-24(34-29-21)17-10-12-31(13-11-17)20(32)14-25-23(33)16-6-4-3-5-7-16;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;1-6-7-4-5-8(10-2)11-9(7)13(3)12-6;1-12(14-2)8(13)5-3-4-6(9)11-7(5)10;1-5-6-3-4-7(9)10-8(6)12(2)11-5;1-4(11)5-2-3-6(8)10-7(5)9;1-4-5-2-3-6(8)9-7(5)11-10-4;7-4-2-1-3(6(10)11)5(8)9-4;1-2-4-5-3-1;1-3-4-2;;;;/h3-9,17H,10-14H2,1-2H3,(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,9,10,11);1-2H,(H,10,11);1-4H2;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;;;-1;;;+2/p-1
• InChIKey: RPASKMBQUGKXCZ-UHFFFAOYSA-M
• XLogP: 9.90
• TPSA: 555.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 15
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2250.82
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride?

The IUPAC name of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride (CID 172933137) is magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride.

What is the SMILES notation for magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride?

The canonical SMILES for magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride is C1CCOC1.CC(=O)c1ccc(F)nc1F.CNOC.CON(C)C(=O)c1ccc(F)nc1F.Cc1[nH]nc2nc(F)ccc12.Cc1nn(C)c2nc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)n3)ccc12.Cc1nn(C)c2nc(/C(N)=N/O)ccc12.Cc1nn(C)c2nc(F)ccc12.Cl.O=C(NCC(=O)N1CCC(C(=O)O)CC1)c1ccccc1.O=C(O)c1ccc(F)nc1F.[Br-].[C-]#[N+]c1ccc2c(C)nn(C)c2n1.[CH3-].[Mg+2].

What is the InChIKey of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride?

The InChIKey is RPASKMBQUGKXCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25N7O3.C15H18N2O4.C9H11N5O.C9H8N4.C8H8F2N2O2.C8H8FN3.C7H5F2NO.C7H6FN3.C6H3F2NO2.C4H8O.C2H7NO.CH3.BrH.ClH.Mg/c1-15-18-8-9-19(26-22(18)30(2)28-15)21-27-24(34-29-21)17-10-12-31(13-11-17)20(32)14-25-23(33)16-6-4-3-5-7-16;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;1-6-7-4-5-8(10-2)11-9(7)13(3)12-6;1-12(14-2)8(13)5-3-4-6(9)11-7(5)10;1-5-6-3-4-7(9)10-8(6)12(2)11-5;1-4(11)5-2-3-6(8)10-7(5)9;1-4-5-2-3-6(8)9-7(5)11-10-4;7-4-2-1-3(6(10)11)5(8)9-4;1-2-4-5-3-1;1-3-4-2;;;;/h3-9,17H,10-14H2,1-2H3,(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,9,10,11);1-2H,(H,10,11);1-4H2;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride?

magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride has a molecular weight of 2250.82 g/mol, XLogP of 9.90, 15 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-(2-benzamidoacetyl)piperidine-4-carboxylic acid;carbanide;2,6-difluoro-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;N-[2-[4-[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide;6-fluoro-1,3-dimethylpyrazolo[5,4-b]pyridine;6-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridine;N'-hydroxy-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[5,4-b]pyridine;N-methoxymethanamine;oxolane;bromide;hydrochloride is sourced from PubChem (CID 172933137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).