magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate

C107H127BrCl8F2MgN30O16 — CID 172948990

About magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate

magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate (PubChem CID 172948990) has the molecular formula C107H127BrCl8F2MgN30O16 and a molecular weight of 2517.23 g/mol. Its IUPAC name is magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate.

Molecular Properties

• Compound Name: magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate
• PubChem CID: 172948990
• Molecular Formula: C107H127BrCl8F2MgN30O16
• Molecular Weight: 2517.23 g/mol
• Exact Mass: 2510.67
• IUPAC Name: magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;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(-c3noc(C4CCN(C(=O)C5CC(=O)N(c6ccccc6)C5)CC4)n3)ncc12.Cc1nn(C)c2cc(/C(N)=N/O)ncc12.Cc1nn(C)c2cc(Cl)ncc12.O.O=C(O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1.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/C26H27N7O3.C17H20N2O4.C9H11N5O.C9H8N4.C8H8Cl2N2O2.C8H8ClN3.C7H5Cl2NO.C7H6ClN3.C6H3Cl2NO2.C4H8O.C3H8O.2CH3F.CH3.BrH.Mg.H2N2.H2O.H2/c1-16-20-14-27-21(13-22(20)31(2)29-16)24-28-25(36-30-24)17-8-10-32(11-9-17)26(35)18-12-23(34)33(15-18)19-6-4-3-5-7-19;20-15-10-13(11-19(15)14-4-2-1-3-5-14)16(21)18-8-6-12(7-9-18)17(22)23;1-5-6-4-11-7(9(10)13-15)3-8(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;;/h3-7,13-14,17-18H,8-12,15H2,1-2H3;1-5,12-13H,6-11H2,(H,22,23);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: KDAHYULDCGMORF-OXMKZWMLSA-M
• XLogP: 16.91
• TPSA: 605.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2517.23
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate?

The IUPAC name of magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate (CID 172948990) is magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate.

What is the SMILES notation for magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate?

The canonical SMILES for magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;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(-c3noc(C4CCN(C(=O)C5CC(=O)N(c6ccccc6)C5)CC4)n3)ncc12.Cc1nn(C)c2cc(/C(N)=N/O)ncc12.Cc1nn(C)c2cc(Cl)ncc12.O.O=C(O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1.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;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate?

The InChIKey is KDAHYULDCGMORF-OXMKZWMLSA-M. The full InChI is InChI=1S/C26H27N7O3.C17H20N2O4.C9H11N5O.C9H8N4.C8H8Cl2N2O2.C8H8ClN3.C7H5Cl2NO.C7H6ClN3.C6H3Cl2NO2.C4H8O.C3H8O.2CH3F.CH3.BrH.Mg.H2N2.H2O.H2/c1-16-20-14-27-21(13-22(20)31(2)29-16)24-28-25(36-30-24)17-8-10-32(11-9-17)26(35)18-12-23(34)33(15-18)19-6-4-3-5-7-19;20-15-10-13(11-19(15)14-4-2-1-3-5-14)16(21)18-8-6-12(7-9-18)17(22)23;1-5-6-4-11-7(9(10)13-15)3-8(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;;/h3-7,13-14,17-18H,8-12,15H2,1-2H3;1-5,12-13H,6-11H2,(H,22,23);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;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate?

magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate has a molecular weight of 2517.23 g/mol, XLogP of 16.91, 13 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;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;4-[4-[3-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one;N'-hydroxy-1,3-dimethylpyrazolo[4,3-c]pyridine-6-carboximidamide;6-isocyano-1,3-dimethylpyrazolo[4,3-c]pyridine;methoxyethane;molecular hydrogen;oxolane;1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid;bromide;hydrate is sourced from PubChem (CID 172948990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).