4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride

C79H102BCl5F4IN22O12- — CID 158054927

About 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride

4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride (PubChem CID 158054927) has the molecular formula C79H102BCl5F4IN22O12- and a molecular weight of 1942.80 g/mol. Its IUPAC name is 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride.

Molecular Properties

• Compound Name: 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride
• PubChem CID: 158054927
• Molecular Formula: C79H102BCl5F4IN22O12-
• Molecular Weight: 1942.80 g/mol
• Exact Mass: 1939.56
• IUPAC Name: 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride
• SMILES: C.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.C[C@@H](N)C(N)=O.C[C@@H](Nc1cc(Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O)C(N)=O.C[C@H](C#N)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC[C@@H](F)C(C)(C)O.C[C@H](C#N)Nc1cc(Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O.Cl.[I-]
• InChI: InChI=1S/C22H22FN7O2.C14H16BN3O2.C14H20ClFN4O3.C14H18ClFN4O2.C11H13Cl2FN2O2.C3H8N2O.CH4.ClH.HI/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-7(12(17)21)20-9-4-11(15)18-5-8(9)13(22)19-6-10(16)14(2,3)23;1-8(5-17)20-10-4-12(15)18-6-9(10)13(21)19-7-11(16)14(2,3)22;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;1-2(4)3(5)6;;;/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31);5-7,9H,1-4H3;4-5,7,10,23H,6H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22);4,6,8,11,22H,7H2,1-3H3,(H,18,20)(H,19,21);3-4,8,18H,5H2,1-2H3,(H,16,17);2H,4H2,1H3,(H2,5,6);1H4;2*1H/p-1/t13-,20-;;7-,10-;8-,11-;8-;2-;;;/m1.1111.../s1
• InChIKey: SQNBPFCRFTVFSR-WUGWJWORSA-M
• XLogP: 5.80
• TPSA: 545.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.80
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride?

The IUPAC name of 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride (CID 158054927) is 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride.

What is the SMILES notation for 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride?

The canonical SMILES for 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride is C.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.C[C@@H](N)C(N)=O.C[C@@H](Nc1cc(Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O)C(N)=O.C[C@H](C#N)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC[C@@H](F)C(C)(C)O.C[C@H](C#N)Nc1cc(Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O.Cl.[I-].

What is the InChIKey of 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride?

The InChIKey is SQNBPFCRFTVFSR-WUGWJWORSA-M. The full InChI is InChI=1S/C22H22FN7O2.C14H16BN3O2.C14H20ClFN4O3.C14H18ClFN4O2.C11H13Cl2FN2O2.C3H8N2O.CH4.ClH.HI/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-7(12(17)21)20-9-4-11(15)18-5-8(9)13(22)19-6-10(16)14(2,3)23;1-8(5-17)20-10-4-12(15)18-6-9(10)13(21)19-7-11(16)14(2,3)22;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;1-2(4)3(5)6;;;/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31);5-7,9H,1-4H3;4-5,7,10,23H,6H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22);4,6,8,11,22H,7H2,1-3H3,(H,18,20)(H,19,21);3-4,8,18H,5H2,1-2H3,(H,16,17);2H,4H2,1H3,(H2,5,6);1H4;2*1H/p-1/t13-,20-;;7-,10-;8-,11-;8-;2-;;;/m1.1111.../s1.

What are the key properties of 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride?

4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride has a molecular weight of 1942.80 g/mol, XLogP of 5.80, 26 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;(2R)-2-aminopropanamide;6-chloro-4-[[(1R)-1-cyanoethyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride is sourced from PubChem (CID 158054927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).