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

C84H112BCl6F4IN17O14- — CID 162065857

About (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride (PubChem CID 162065857) has the molecular formula C84H112BCl6F4IN17O14- and a molecular weight of 2010.35 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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride
• PubChem CID: 162065857
• Molecular Formula: C84H112BCl6F4IN17O14-
• Molecular Weight: 2010.35 g/mol
• Exact Mass: 2006.58
• IUPAC Name: (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride
• SMILES: CC(C)(O)[C@H](F)CN.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CCC[C@@H](O)C1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.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.Cl.N[C@H]1CCC[C@@H](O)C1.O=C(O)c1cnc(Cl)cc1Cl.[I-]
• InChI: InChI=1S/C25H29FN6O3.C17H25ClFN3O3.C14H16BN3O2.C11H13Cl2FN2O2.C6H3Cl2NO2.C6H13NO.C5H12FNO.ClH.HI/c1-25(2,35)23(26)14-29-24(34)19-13-28-21(10-20(19)31-16-4-3-5-18(33)9-16)22-7-6-17-8-15(11-27)12-30-32(17)22;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;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;7-4-1-5(8)9-2-3(4)6(10)11;7-5-2-1-3-6(8)4-5;1-5(2,8)4(6)3-7;;/h6-8,10,12-13,16,18,23,33,35H,3-5,9,14H2,1-2H3,(H,28,31)(H,29,34);7-8,10-11,14,23,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);1-2H,(H,10,11);5-6,8H,1-4,7H2;4,8H,3,7H2,1-2H3;2*1H/p-1/t16-,18+,23+;10-,11+,14+;;8-;;5-,6+;4-;;/m00.1.01../s1
• InChIKey: MHDMQJAFXYFQNN-KQACMQRPSA-M
• XLogP: 8.66
• TPSA: 494.51 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2010.35
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride (CID 162065857) is (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride is CC(C)(O)[C@H](F)CN.CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CCC[C@@H](O)C1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.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.Cl.N[C@H]1CCC[C@@H](O)C1.O=C(O)c1cnc(Cl)cc1Cl.[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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride?

The InChIKey is MHDMQJAFXYFQNN-KQACMQRPSA-M. The full InChI is InChI=1S/C25H29FN6O3.C17H25ClFN3O3.C14H16BN3O2.C11H13Cl2FN2O2.C6H3Cl2NO2.C6H13NO.C5H12FNO.ClH.HI/c1-25(2,35)23(26)14-29-24(34)19-13-28-21(10-20(19)31-16-4-3-5-18(33)9-16)22-7-6-17-8-15(11-27)12-30-32(17)22;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;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;7-4-1-5(8)9-2-3(4)6(10)11;7-5-2-1-3-6(8)4-5;1-5(2,8)4(6)3-7;;/h6-8,10,12-13,16,18,23,33,35H,3-5,9,14H2,1-2H3,(H,28,31)(H,29,34);7-8,10-11,14,23,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);1-2H,(H,10,11);5-6,8H,1-4,7H2;4,8H,3,7H2,1-2H3;2*1H/p-1/t16-,18+,23+;10-,11+,14+;;8-;;5-,6+;4-;;/m00.1.01../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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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 2010.35 g/mol, XLogP of 8.66, 21 rotatable bonds, 15 hydrogen bond donors, and 27 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-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;cis-(1R,3S)-3-aminocyclohexan-1-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;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 162065857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).