N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide

C78H100BCl2IN15O8- — CID 158227620

About N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide

N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide (PubChem CID 158227620) has the molecular formula C78H100BCl2IN15O8- and a molecular weight of 1584.38 g/mol. Its IUPAC name is N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide.

Molecular Properties

• Compound Name: N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide
• PubChem CID: 158227620
• Molecular Formula: C78H100BCl2IN15O8-
• Molecular Weight: 1584.38 g/mol
• Exact Mass: 1582.64
• IUPAC Name: N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide
• SMILES: CC(=O)C1CC2(CC(NC(=O)c3cnc(Cl)cc3NC(C)C)C2)C1.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CC2(C1)CC(C(C)(C)O)C2.CC(C)Nc1cc(Cl)ncc1C(=O)NC1CC2(C1)CC(C(C)(C)O)C2.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.[I-]
• InChI: InChI=1S/C27H32N6O2.C19H28ClN3O2.C18H24ClN3O2.C14H16BN3O2.HI/c1-16(2)31-22-8-23(24-6-5-20-7-17(13-28)14-30-33(20)24)29-15-21(22)25(34)32-19-11-27(12-19)9-18(10-27)26(3,4)35;1-11(2)22-15-5-16(20)21-10-14(15)17(24)23-13-8-19(9-13)6-12(7-19)18(3,4)25;1-10(2)21-15-4-16(19)20-9-14(15)17(24)22-13-7-18(8-13)5-12(6-18)11(3)23;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;/h5-8,14-16,18-19,35H,9-12H2,1-4H3,(H,29,31)(H,32,34);5,10-13,25H,6-9H2,1-4H3,(H,21,22)(H,23,24);4,9-10,12-13H,5-8H2,1-3H3,(H,20,21)(H,22,24);5-7,9H,1-4H3;1H/p-1
• InChIKey: KZHXNAMIARKBMT-UHFFFAOYSA-M
• XLogP: 9.70
• TPSA: 320.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.38
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

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 N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

The IUPAC name of N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide (CID 158227620) is N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;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 N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

The canonical SMILES for N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide is CC(=O)C1CC2(CC(NC(=O)c3cnc(Cl)cc3NC(C)C)C2)C1.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CC2(C1)CC(C(C)(C)O)C2.CC(C)Nc1cc(Cl)ncc1C(=O)NC1CC2(C1)CC(C(C)(C)O)C2.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.[I-].

What is the InChIKey of N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

The InChIKey is KZHXNAMIARKBMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H32N6O2.C19H28ClN3O2.C18H24ClN3O2.C14H16BN3O2.HI/c1-16(2)31-22-8-23(24-6-5-20-7-17(13-28)14-30-33(20)24)29-15-21(22)25(34)32-19-11-27(12-19)9-18(10-27)26(3,4)35;1-11(2)22-15-5-16(20)21-10-14(15)17(24)23-13-8-19(9-13)6-12(7-19)18(3,4)25;1-10(2)21-15-4-16(19)20-9-14(15)17(24)22-13-7-18(8-13)5-12(6-18)11(3)23;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;/h5-8,14-16,18-19,35H,9-12H2,1-4H3,(H,29,31)(H,32,34);5,10-13,25H,6-9H2,1-4H3,(H,21,22)(H,23,24);4,9-10,12-13H,5-8H2,1-3H3,(H,20,21)(H,22,24);5-7,9H,1-4H3;1H/p-1.

What are the key properties of N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?

N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;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 1584.38 g/mol, XLogP of 9.70, 17 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetylspiro[3.3]heptan-2-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide;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 158227620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).