(2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one

C83H97ClF3N15O9 — CID 158969620

About (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one

(2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one (PubChem CID 158969620) has the molecular formula C83H97ClF3N15O9 and a molecular weight of 1541.23 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one.

Molecular Properties

• Compound Name: (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
• PubChem CID: 158969620
• Molecular Formula: C83H97ClF3N15O9
• Molecular Weight: 1541.23 g/mol
• Exact Mass: 1539.72
• IUPAC Name: (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
• SMILES: CC(C)C[C@@H](O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C[C@@H]1C.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)c4ccccc4Cl)[C@@H](C)C3)nc12.CCCCC(O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C[C@@H]1C
• InChI: InChI=1S/C29H29ClFN5O3.2C27H34FN5O3/c1-17(2)22-14-24(19-8-10-20(31)11-9-19)33-36-16-25(32-27(22)36)28(38)34-12-13-35(18(3)15-34)29(39)26(37)21-6-4-5-7-23(21)30;1-16(2)12-24(34)27(36)32-11-10-31(14-18(32)5)26(35)23-15-33-25(29-23)21(17(3)4)13-22(30-33)19-6-8-20(28)9-7-19;1-5-6-7-24(34)27(36)32-13-12-31(15-18(32)4)26(35)23-16-33-25(29-23)21(17(2)3)14-22(30-33)19-8-10-20(28)11-9-19/h4-11,14,16-18,26,37H,12-13,15H2,1-3H3;6-9,13,15-18,24,34H,10-12,14H2,1-5H3;8-11,14,16-18,24,34H,5-7,12-13,15H2,1-4H3/t18-,26+;18-,24+;18-,24?/m000/s1
• InChIKey: JNQGDKXHXDHYDI-ALJNLSCYSA-N
• XLogP: 12.34
• TPSA: 273.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1541.23
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?

The IUPAC name of (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one (CID 158969620) is (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one.

What is the SMILES notation for (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?

The canonical SMILES for (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one is CC(C)C[C@@H](O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C[C@@H]1C.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)c4ccccc4Cl)[C@@H](C)C3)nc12.CCCCC(O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C[C@@H]1C.

What is the InChIKey of (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?

The InChIKey is JNQGDKXHXDHYDI-ALJNLSCYSA-N. The full InChI is InChI=1S/C29H29ClFN5O3.2C27H34FN5O3/c1-17(2)22-14-24(19-8-10-20(31)11-9-19)33-36-16-25(32-27(22)36)28(38)34-12-13-35(18(3)15-34)29(39)26(37)21-6-4-5-7-23(21)30;1-16(2)12-24(34)27(36)32-11-10-31(14-18(32)5)26(35)23-15-33-25(29-23)21(17(3)4)13-22(30-33)19-6-8-20(28)9-7-19;1-5-6-7-24(34)27(36)32-13-12-31(15-18(32)4)26(35)23-16-33-25(29-23)21(17(2)3)14-22(30-33)19-8-10-20(28)11-9-19/h4-11,14,16-18,26,37H,12-13,15H2,1-3H3;6-9,13,15-18,24,34H,10-12,14H2,1-5H3;8-11,14,16-18,24,34H,5-7,12-13,15H2,1-4H3/t18-,26+;18-,24+;18-,24?/m000/s1.

What are the key properties of (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?

(2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one has a molecular weight of 1541.23 g/mol, XLogP of 12.34, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2-chlorophenyl)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyhexan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one is sourced from PubChem (CID 158969620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).