(4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

C85H77F16N23O8S — CID 158099691

IUPAC(4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.CCS(=O)(=O)N1CCN(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)N1CCN(CCn2ccnc2)CC1.O=C1NCCN2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(F)(F)F)c4n3)CC12
InChIInChI=1S/C23H21F4N7O.C21H18F4N6O2.C21H19F4N5O2.C20H19F4N5O3S/c24-17-3-1-16(2-4-17)19-13-18(23(25,26)27)21-29-20(14-34(21)30-19)22(35)33-11-9-31(10-12-33)7-8-32-6-5-28-15-32;22-13-3-1-12(2-4-13)15-9-14(21(23,24)25)18-27-16(10-31(18)28-15)20(33)30-8-7-29-6-5-26-19(32)17(29)11-30;1-2-18(31)28-7-9-29(10-8-28)20(32)17-12-30-19(26-17)15(21(23,24)25)11-16(27-30)13-3-5-14(22)6-4-13;1-2-33(31,32)28-9-7-27(8-10-28)19(30)17-12-29-18(25-17)15(20(22,23)24)11-16(26-29)13-3-5-14(21)6-4-13/h1-6,13-15H,7-12H2;1-4,9-10,17H,5-8,11H2,(H,26,32);3-6,11-12H,2,7-10H2,1H3;3-6,11-12H,2,7-10H2,1H3
InChIKeyFPCIUKOPIAUZEF-UHFFFAOYSA-N
MW1884.74 g/mol
LogP10.93
Rot. Bonds14

About (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

(4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 158099691) has the molecular formula C85H77F16N23O8S and a molecular weight of 1884.74 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID158099691
Molecular FormulaC85H77F16N23O8S
Molecular Weight1884.74 g/mol
Exact Mass1883.58
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.CCS(=O)(=O)N1CCN(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)N1CCN(CCn2ccnc2)CC1.O=C1NCCN2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(F)(F)F)c4n3)CC12
InChIInChI=1S/C23H21F4N7O.C21H18F4N6O2.C21H19F4N5O2.C20H19F4N5O3S/c24-17-3-1-16(2-4-17)19-13-18(23(25,26)27)21-29-20(14-34(21)30-19)22(35)33-11-9-31(10-12-33)7-8-32-6-5-28-15-32;22-13-3-1-12(2-4-13)15-9-14(21(23,24)25)18-27-16(10-31(18)28-15)20(33)30-8-7-29-6-5-26-19(32)17(29)11-30;1-2-18(31)28-7-9-29(10-8-28)20(32)17-12-30-19(26-17)15(21(23,24)25)11-16(27-30)13-3-5-14(22)6-4-13;1-2-33(31,32)28-9-7-27(8-10-28)19(30)17-12-29-18(25-17)15(20(22,23)24)11-16(26-29)13-3-5-14(21)6-4-13/h1-6,13-15H,7-12H2;1-4,9-10,17H,5-8,11H2,(H,26,32);3-6,11-12H,2,7-10H2,1H3;3-6,11-12H,2,7-10H2,1H3
InChIKeyFPCIUKOPIAUZEF-UHFFFAOYSA-N
XLogP10.93
TPSA313.09 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.74
LogP ≤ 510.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[6-methyl-2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123415167
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-8-[3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123737199
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-2-yl]-8-[(3R)-3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyridin-2-yl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708734
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-1-[[2-[[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564679
[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
1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone
CID 157135017
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
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
CID 157327219
CID 157327219
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
3-[(3aS,6aR)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(3aR,6aS)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[3-[(3aR,6aS)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea;1-[3-[(3aR,6aS)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methylurea;[(3aS,6aR)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 157330805

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (CID 158099691) is (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is CCC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.CCS(=O)(=O)N1CCN(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)N1CCN(CCn2ccnc2)CC1.O=C1NCCN2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(F)(F)F)c4n3)CC12.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is FPCIUKOPIAUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N7O.C21H18F4N6O2.C21H19F4N5O2.C20H19F4N5O3S/c24-17-3-1-16(2-4-17)19-13-18(23(25,26)27)21-29-20(14-34(21)30-19)22(35)33-11-9-31(10-12-33)7-8-32-6-5-28-15-32;22-13-3-1-12(2-4-13)15-9-14(21(23,24)25)18-27-16(10-31(18)28-15)20(33)30-8-7-29-6-5-26-19(32)17(29)11-30;1-2-18(31)28-7-9-29(10-8-28)20(32)17-12-30-19(26-17)15(21(23,24)25)11-16(27-30)13-3-5-14(22)6-4-13;1-2-33(31,32)28-9-7-27(8-10-28)19(30)17-12-29-18(25-17)15(20(22,23)24)11-16(26-29)13-3-5-14(21)6-4-13/h1-6,13-15H,7-12H2;1-4,9-10,17H,5-8,11H2,(H,26,32);3-6,11-12H,2,7-10H2,1H3;3-6,11-12H,2,7-10H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
(4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 1884.74 g/mol, XLogP of 10.93, 14 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;2-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 158099691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).