tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C93H89F16N19O10 — CID 158295166

About tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 158295166) has the molecular formula C93H89F16N19O10 and a molecular weight of 1936.83 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 158295166
• Molecular Formula: C93H89F16N19O10
• Molecular Weight: 1936.83 g/mol
• Exact Mass: 1935.68
• IUPAC Name: tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: CCOC(=O)[C@@H]1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)[C@@H]1C.CCOC(=O)[C@H]1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)[C@@H]1C.CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCCCC1c1ccn[nH]1
• InChI: InChI=1S/C25H27F4N5O3.2C23H22F4N4O3.C22H18F4N6O/c1-24(2,3)37-23(36)32(4)17-9-11-33(12-10-17)22(35)20-14-34-21(30-20)18(25(27,28)29)13-19(31-34)15-5-7-16(26)8-6-15;2*1-3-34-22(33)16-5-4-10-30(13(16)2)21(32)19-12-31-20(28-19)17(23(25,26)27)11-18(29-31)14-6-8-15(24)9-7-14;23-14-6-4-13(5-7-14)17-11-15(22(24,25)26)20-28-18(12-32(20)30-17)21(33)31-10-2-1-3-19(31)16-8-9-27-29-16/h5-8,13-14,17H,9-12H2,1-4H3;2*6-9,11-13,16H,3-5,10H2,1-2H3;4-9,11-12,19H,1-3,10H2,(H,27,29)/t;13-,16+;13-,16-;/m.11./s1
• InChIKey: GLVBAYDKPXBBBM-UYDQUHSASA-N
• XLogP: 18.39
• TPSA: 312.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.83
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 158295166) is tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCOC(=O)[C@@H]1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)[C@@H]1C.CCOC(=O)[C@H]1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)[C@@H]1C.CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCCCC1c1ccn[nH]1.

What is the InChIKey of tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is GLVBAYDKPXBBBM-UYDQUHSASA-N. The full InChI is InChI=1S/C25H27F4N5O3.2C23H22F4N4O3.C22H18F4N6O/c1-24(2,3)37-23(36)32(4)17-9-11-33(12-10-17)22(35)20-14-34-21(30-20)18(25(27,28)29)13-19(31-34)15-5-7-16(26)8-6-15;2*1-3-34-22(33)16-5-4-10-30(13(16)2)21(32)19-12-31-20(28-19)17(23(25,26)27)11-18(29-31)14-6-8-15(24)9-7-14;23-14-6-4-13(5-7-14)17-11-15(22(24,25)26)20-28-18(12-32(20)30-17)21(33)31-10-2-1-3-19(31)16-8-9-27-29-16/h5-8,13-14,17H,9-12H2,1-4H3;2*6-9,11-13,16H,3-5,10H2,1-2H3;4-9,11-12,19H,1-3,10H2,(H,27,29)/t;13-,16+;13-,16-;/m.11./s1.

What are the key properties of tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 1936.83 g/mol, XLogP of 18.39, 14 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 158295166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).