(3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride

C85H94BCl5F3IN21O12- — CID 159787946

About (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride

(3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride (PubChem CID 159787946) has the molecular formula C85H94BCl5F3IN21O12- and a molecular weight of 1973.80 g/mol. Its IUPAC name is (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;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: (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride
• PubChem CID: 159787946
• Molecular Formula: C85H94BCl5F3IN21O12-
• Molecular Weight: 1973.80 g/mol
• Exact Mass: 1970.49
• IUPAC Name: (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride
• SMILES: C1CCOC1.CC(C)(O)[C@H](F)CN.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cccnc1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Nc1cccnc1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Cl.Nc1cccnc1.O=C(O)c1cnc(Cl)cc1Cl.O=C(O)c1cnc(Cl)cc1Nc1cccnc1.[I-]
• InChI: InChI=1S/C24H22FN7O2.C16H18ClFN4O2.C14H16BN3O2.C11H8ClN3O2.C6H3Cl2NO2.C5H12FNO.C5H6N2.C4H8O.ClH.HI/c1-24(2,34)22(25)14-29-23(33)18-13-28-20(9-19(18)31-16-4-3-7-27-12-16)21-6-5-17-8-15(10-26)11-30-32(17)21;1-16(2,24)13(18)9-21-15(23)11-8-20-14(17)6-12(11)22-10-4-3-5-19-7-10;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;12-10-4-9(8(6-14-10)11(16)17)15-7-2-1-3-13-5-7;7-4-1-5(8)9-2-3(4)6(10)11;1-5(2,8)4(6)3-7;6-5-2-1-3-7-4-5;1-2-4-5-3-1;;/h3-9,11-13,22,34H,14H2,1-2H3,(H,28,31)(H,29,33);3-8,13,24H,9H2,1-2H3,(H,20,22)(H,21,23);5-7,9H,1-4H3;1-6H,(H,14,15)(H,16,17);1-2H,(H,10,11);4,8H,3,7H2,1-2H3;1-4H,6H2;1-4H2;2*1H/p-1/t22-;13-;;;;4-;;;;/m11...1..../s1
• InChIKey: CBTUNHJQKSGWKP-MHPONRGCSA-M
• XLogP: 11.06
• TPSA: 494.61 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1973.80
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

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 (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;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 (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride (CID 159787946) is (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;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 (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;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 (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride is C1CCOC1.CC(C)(O)[C@H](F)CN.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cccnc1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Nc1cccnc1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Cl.Nc1cccnc1.O=C(O)c1cnc(Cl)cc1Cl.O=C(O)c1cnc(Cl)cc1Nc1cccnc1.[I-].

What is the InChIKey of (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride?

The InChIKey is CBTUNHJQKSGWKP-MHPONRGCSA-M. The full InChI is InChI=1S/C24H22FN7O2.C16H18ClFN4O2.C14H16BN3O2.C11H8ClN3O2.C6H3Cl2NO2.C5H12FNO.C5H6N2.C4H8O.ClH.HI/c1-24(2,34)22(25)14-29-23(33)18-13-28-20(9-19(18)31-16-4-3-7-27-12-16)21-6-5-17-8-15(10-26)11-30-32(17)21;1-16(2,24)13(18)9-21-15(23)11-8-20-14(17)6-12(11)22-10-4-3-5-19-7-10;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;12-10-4-9(8(6-14-10)11(16)17)15-7-2-1-3-13-5-7;7-4-1-5(8)9-2-3(4)6(10)11;1-5(2,8)4(6)3-7;6-5-2-1-3-7-4-5;1-2-4-5-3-1;;/h3-9,11-13,22,34H,14H2,1-2H3,(H,28,31)(H,29,33);3-8,13,24H,9H2,1-2H3,(H,20,22)(H,21,23);5-7,9H,1-4H3;1-6H,(H,14,15)(H,16,17);1-2H,(H,10,11);4,8H,3,7H2,1-2H3;1-4H,6H2;1-4H2;2*1H/p-1/t22-;13-;;;;4-;;;;/m11...1..../s1.

What are the key properties of (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride?

(3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;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 1973.80 g/mol, XLogP of 11.06, 20 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;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 159787946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).