4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide

C100H115BCl4F4IN24O19- — CID 162158879

About 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide

4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide (PubChem CID 162158879) has the molecular formula C100H115BCl4F4IN24O19- and a molecular weight of 2312.69 g/mol. Its IUPAC name is 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide.

Molecular Properties

• Compound Name: 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide
• PubChem CID: 162158879
• Molecular Formula: C100H115BCl4F4IN24O19-
• Molecular Weight: 2312.69 g/mol
• Exact Mass: 2309.66
• IUPAC Name: 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide
• SMILES: C1CCOC1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Nc1ccc(N)nc1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.COC(=O)Cc1ccc(N)cn1.COC(=O)Cc1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1.COC(=O)N(C(=O)OC)c1ccc(Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1.[I-]
• InChI: InChI=1S/C27H26FN7O4.C20H23ClFN5O6.C16H19ClFN5O2.C14H16BN3O2.C11H13Cl2FN2O2.C8H10N2O2.C4H8O.HI/c1-27(2,38)24(28)15-32-26(37)20-14-31-22(23-7-6-19-8-16(11-29)12-33-35(19)23)10-21(20)34-18-5-4-17(30-13-18)9-25(36)39-3;1-20(2,31)14(22)10-25-17(28)12-9-23-15(21)7-13(12)26-11-5-6-16(24-8-11)27(18(29)32-3)19(30)33-4;1-16(2,25)12(18)8-22-15(24)10-7-20-13(17)5-11(10)23-9-3-4-14(19)21-6-9;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;1-12-8(11)4-7-3-2-6(9)5-10-7;1-2-4-5-3-1;/h4-8,10,12-14,24,38H,9,15H2,1-3H3,(H,31,34)(H,32,37);5-9,14,31H,10H2,1-4H3,(H,23,26)(H,25,28);3-7,12,25H,8H2,1-2H3,(H2,19,21)(H,20,23)(H,22,24);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);2-3,5H,4,9H2,1H3;1-4H2;1H/p-1/t24-;14-;12-;;8-;;;/m111.1.../s1
• InChIKey: AZXOVKPCXFWDRL-ZMPKORDOSA-M
• XLogP: 10.22
• TPSA: 606.88 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.69
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

The IUPAC name of 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide (CID 162158879) is 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide.

What is the SMILES notation for 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

The canonical SMILES for 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide is C1CCOC1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Nc1ccc(N)nc1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.COC(=O)Cc1ccc(N)cn1.COC(=O)Cc1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1.COC(=O)N(C(=O)OC)c1ccc(Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1.[I-].

What is the InChIKey of 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

The InChIKey is AZXOVKPCXFWDRL-ZMPKORDOSA-M. The full InChI is InChI=1S/C27H26FN7O4.C20H23ClFN5O6.C16H19ClFN5O2.C14H16BN3O2.C11H13Cl2FN2O2.C8H10N2O2.C4H8O.HI/c1-27(2,38)24(28)15-32-26(37)20-14-31-22(23-7-6-19-8-16(11-29)12-33-35(19)23)10-21(20)34-18-5-4-17(30-13-18)9-25(36)39-3;1-20(2,31)14(22)10-25-17(28)12-9-23-15(21)7-13(12)26-11-5-6-16(24-8-11)27(18(29)32-3)19(30)33-4;1-16(2,25)12(18)8-22-15(24)10-7-20-13(17)5-11(10)23-9-3-4-14(19)21-6-9;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;1-12-8(11)4-7-3-2-6(9)5-10-7;1-2-4-5-3-1;/h4-8,10,12-14,24,38H,9,15H2,1-3H3,(H,31,34)(H,32,37);5-9,14,31H,10H2,1-4H3,(H,23,26)(H,25,28);3-7,12,25H,8H2,1-2H3,(H2,19,21)(H,20,23)(H,22,24);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);2-3,5H,4,9H2,1H3;1-4H2;1H/p-1/t24-;14-;12-;;8-;;;/m111.1.../s1.

What are the key properties of 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide has a molecular weight of 2312.69 g/mol, XLogP of 10.22, 29 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6-amino-3-pyridinyl)amino]-6-chloro-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;methyl 2-(5-amino-2-pyridinyl)acetate;methyl N-[5-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]-N-methoxycarbonylcarbamate;methyl 2-[5-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]-2-pyridinyl]acetate;oxolane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide is sourced from PubChem (CID 162158879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).