magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide

C137H183BCl5F6IMgN27O20- — CID 159256097

About magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide

magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide (PubChem CID 159256097) has the molecular formula C137H183BCl5F6IMgN27O20- and a molecular weight of 2981.41 g/mol. Its IUPAC name is magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide.

Molecular Properties

• Compound Name: magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide
• PubChem CID: 159256097
• Molecular Formula: C137H183BCl5F6IMgN27O20-
• Molecular Weight: 2981.41 g/mol
• Exact Mass: 2977.15
• IUPAC Name: magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@H]1CCCC(=O)C1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@H]1CCC[C@H](O)C1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.CC1(O)CCC[C@H](Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.CC1(O)CCC[C@H](Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.CC1(O)CCC[C@H](Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.CC1(O)CCC[C@H](Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.[CH3-].[Cl-].[I-].[Mg+2]
• InChI: InChI=1S/2C26H31FN6O3.2C18H27ClFN3O3.C17H25ClFN3O3.C17H23ClFN3O3.C14H16BN3O2.CH3.ClH.HI.Mg/c2*1-25(2,35)23(27)15-30-24(34)19-14-29-21(10-20(19)32-17-5-4-8-26(3,36)11-17)22-7-6-18-9-16(12-28)13-31-33(18)22;2*1-17(2,25)14(20)10-22-16(24)12-9-21-15(19)7-13(12)23-11-5-4-6-18(3,26)8-11;2*1-17(2,25)14(19)9-21-16(24)12-8-20-15(18)7-13(12)22-10-4-3-5-11(23)6-10;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;;;;/h2*6-7,9-10,13-14,17,23,35-36H,4-5,8,11,15H2,1-3H3,(H,29,32)(H,30,34);2*7,9,11,14,25-26H,4-6,8,10H2,1-3H3,(H,21,23)(H,22,24);7-8,10-11,14,23,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24);7-8,10,14,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24);5-7,9H,1-4H3;1H3;2*1H;/q;;;;;;;-1;;;+2/p-2/t2*17-,23+,26?;2*11-,14+,18?;10-,11-,14+;10-,14+;;;;;/m000000...../s1
• InChIKey: ULSYUTNVVMHGGQ-USYWOTCSSA-L
• XLogP: 12.15
• TPSA: 705.45 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 41
• Rotatable Bonds: 39
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2981.41
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide?

The IUPAC name of magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide (CID 159256097) is magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide.

What is the SMILES notation for magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide?

The canonical SMILES for magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@H]1CCCC(=O)C1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@H]1CCC[C@H](O)C1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.CC1(O)CCC[C@H](Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.CC1(O)CCC[C@H](Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.CC1(O)CCC[C@H](Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.CC1(O)CCC[C@H](Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.[CH3-].[Cl-].[I-].[Mg+2].

What is the InChIKey of magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide?

The InChIKey is ULSYUTNVVMHGGQ-USYWOTCSSA-L. The full InChI is InChI=1S/2C26H31FN6O3.2C18H27ClFN3O3.C17H25ClFN3O3.C17H23ClFN3O3.C14H16BN3O2.CH3.ClH.HI.Mg/c2*1-25(2,35)23(27)15-30-24(34)19-14-29-21(10-20(19)32-17-5-4-8-26(3,36)11-17)22-7-6-18-9-16(12-28)13-31-33(18)22;2*1-17(2,25)14(20)10-22-16(24)12-9-21-15(19)7-13(12)23-11-5-4-6-18(3,26)8-11;2*1-17(2,25)14(19)9-21-16(24)12-8-20-15(18)7-13(12)22-10-4-3-5-11(23)6-10;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;;;;/h2*6-7,9-10,13-14,17,23,35-36H,4-5,8,11,15H2,1-3H3,(H,29,32)(H,30,34);2*7,9,11,14,25-26H,4-6,8,10H2,1-3H3,(H,21,23)(H,22,24);7-8,10-11,14,23,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24);7-8,10,14,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24);5-7,9H,1-4H3;1H3;2*1H;/q;;;;;;;-1;;;+2/p-2/t2*17-,23+,26?;2*11-,14+,18?;10-,11-,14+;10-,14+;;;;;/m000000...../s1.

What are the key properties of magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide?

magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide has a molecular weight of 2981.41 g/mol, XLogP of 12.15, 39 rotatable bonds, 23 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;bis(6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-oxocyclohexyl]amino]pyridine-3-carboxamide;bis(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide);7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;chloride;iodide is sourced from PubChem (CID 159256097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).