4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone

C108H111F12N25O9 — CID 159366500

IUPAC4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cccnn4)CC3(C)C)nc12.Cc1nnc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C(F)(F)F)cc5)cc(C(C)C)c4n3)C(C)(C)C2)o1
InChIInChI=1S/C29H29F3N6O2.C28H28F3N7O2.C27H28F3N7O3.C24H26F3N5O2/c1-18(2)21-15-23(19-8-10-20(11-9-19)29(30,31)32)35-38-16-24(34-25(21)38)27(40)37-14-13-36(17-28(37,3)4)26(39)22-7-5-6-12-33-22;1-17(2)20-14-22(18-7-9-19(10-8-18)28(29,30)31)35-38-15-23(33-24(20)38)26(40)37-13-12-36(16-27(37,3)4)25(39)21-6-5-11-32-34-21;1-15(2)19-12-20(17-6-8-18(9-7-17)27(28,29)30)34-37-13-21(31-22(19)37)24(38)36-11-10-35(14-26(36,4)5)25(39)23-33-32-16(3)40-23;1-22(2,3)16-12-17(14-6-8-15(9-7-14)24(25,26)27)30-32-13-18(29-19(16)32)20(33)31-11-10-28-21(34)23(31,4)5/h5-12,15-16,18H,13-14,17H2,1-4H3;5-11,14-15,17H,12-13,16H2,1-4H3;6-9,12-13,15H,10-11,14H2,1-5H3;6-9,12-13H,10-11H2,1-5H3,(H,28,34)
InChIKeyLJERNAQBXYBMCJ-UHFFFAOYSA-N
MW2131.22 g/mol
LogP18.69
Rot. Bonds14

About 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone

4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 159366500) has the molecular formula C108H111F12N25O9 and a molecular weight of 2131.22 g/mol. Its IUPAC name is 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID159366500
Molecular FormulaC108H111F12N25O9
Molecular Weight2131.22 g/mol
Exact Mass2129.88
IUPAC Name4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cccnn4)CC3(C)C)nc12.Cc1nnc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C(F)(F)F)cc5)cc(C(C)C)c4n3)C(C)(C)C2)o1
InChIInChI=1S/C29H29F3N6O2.C28H28F3N7O2.C27H28F3N7O3.C24H26F3N5O2/c1-18(2)21-15-23(19-8-10-20(11-9-19)29(30,31)32)35-38-16-24(34-25(21)38)27(40)37-14-13-36(17-28(37,3)4)26(39)22-7-5-6-12-33-22;1-17(2)20-14-22(18-7-9-19(10-8-18)28(29,30)31)35-38-15-23(33-24(20)38)26(40)37-13-12-36(16-27(37,3)4)25(39)21-6-5-11-32-34-21;1-15(2)19-12-20(17-6-8-18(9-7-17)27(28,29)30)34-37-13-21(31-22(19)37)24(38)36-11-10-35(14-26(36,4)5)25(39)23-33-32-16(3)40-23;1-22(2,3)16-12-17(14-6-8-15(9-7-14)24(25,26)27)30-32-13-18(29-19(16)32)20(33)31-11-10-28-21(34)23(31,4)5/h5-12,15-16,18H,13-14,17H2,1-4H3;5-11,14-15,17H,12-13,16H2,1-4H3;6-9,12-13,15H,10-11,14H2,1-5H3;6-9,12-13H,10-11H2,1-5H3,(H,28,34)
InChIKeyLJERNAQBXYBMCJ-UHFFFAOYSA-N
XLogP18.69
TPSA369.62 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002131.22
LogP ≤ 518.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

US20240368194, Example 26
CID 172494649
N-methyl-4-[3-[[5-[[4-(methylaminomethyl)-3-(trifluoromethyl)benzoyl]amino]-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-2-yl]methyl]-6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine-2-carboxamide
CID 130425810
5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 149031334
[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-imidazole-4-carbonyl)piperazin-1-yl]methanone;3,3,3-trifluoro-1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157134662
4-[8-Tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157145622
[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 157192282
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 157210328
[4-[8-tert-butyl-6-(4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyl-1H-imidazol-5-yl)piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
CID 157222251
(2R)-2-amino-3-cyclohexyl-1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]propan-1-one;tert-butyl 4-(6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazine-1-carboxylate;tert-butyl N-[(2R)-3-cyclohexyl-1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamate;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 157251297
1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
CID 157328934
bis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;N-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanone
CID 157362122

Frequently Asked Questions

What is the IUPAC name of 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 159366500) is 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone is CC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cccnn4)CC3(C)C)nc12.Cc1nnc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C(F)(F)F)cc5)cc(C(C)C)c4n3)C(C)(C)C2)o1.
What is the InChIKey of 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is LJERNAQBXYBMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O2.C28H28F3N7O2.C27H28F3N7O3.C24H26F3N5O2/c1-18(2)21-15-23(19-8-10-20(11-9-19)29(30,31)32)35-38-16-24(34-25(21)38)27(40)37-14-13-36(17-28(37,3)4)26(39)22-7-5-6-12-33-22;1-17(2)20-14-22(18-7-9-19(10-8-18)28(29,30)31)35-38-15-23(33-24(20)38)26(40)37-13-12-36(16-27(37,3)4)25(39)21-6-5-11-32-34-21;1-15(2)19-12-20(17-6-8-18(9-7-17)27(28,29)30)34-37-13-21(31-22(19)37)24(38)36-11-10-35(14-26(36,4)5)25(39)23-33-32-16(3)40-23;1-22(2,3)16-12-17(14-6-8-15(9-7-14)24(25,26)27)30-32-13-18(29-19(16)32)20(33)31-11-10-28-21(34)23(31,4)5/h5-12,15-16,18H,13-14,17H2,1-4H3;5-11,14-15,17H,12-13,16H2,1-4H3;6-9,12-13,15H,10-11,14H2,1-5H3;6-9,12-13H,10-11H2,1-5H3,(H,28,34).
What are the key properties of 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone?
4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 2131.22 g/mol, XLogP of 18.69, 14 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 159366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).