tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine

C124H135F13N36O21 — CID 165029679

IUPACtert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC3CCC(Oc4ccc5nnc(C(F)(F)F)n5n4)CC3)cn2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1.NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1.O=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCNCC2)nc1.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(N4CCN(c5ccc(C(=O)NC6CCC(Oc7ccc8nnc(C(F)(F)F)n8n7)CC6)cn5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C35H33F3N10O6.C27H33F3N8O4.C22H25F3N8O2.C15H21N3O4.C13H9FN2O4.C12H14F3N5O/c36-35(37,38)34-43-42-26-11-13-28(44-48(26)34)54-21-7-5-20(6-8-21)40-30(50)19-4-10-25(39-18-19)46-16-14-45(15-17-46)23-3-1-2-22-29(23)33(53)47(32(22)52)24-9-12-27(49)41-31(24)51;1-26(2,3)42-25(40)37-14-12-36(13-15-37)20-9-4-17(16-31-20)23(39)32-18-5-7-19(8-6-18)41-22-11-10-21-33-34-24(27(28,29)30)38(21)35-22;23-22(24,25)21-30-29-18-7-8-19(31-33(18)21)35-16-4-2-15(3-5-16)28-20(34)14-1-6-17(27-13-14)32-11-9-26-10-12-32;1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-5-4-11(10-16-12)13(19)20;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;13-12(14,15)11-18-17-9-5-6-10(19-20(9)11)21-8-3-1-7(16)2-4-8/h1-4,10-11,13,18,20-21,24H,5-9,12,14-17H2,(H,40,50)(H,41,49,51);4,9-11,16,18-19H,5-8,12-15H2,1-3H3,(H,32,39);1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34);4-5,10H,6-9H2,1-3H3,(H,19,20);1-3,8H,4-5H2,(H,15,17,18);5-8H,1-4,16H2
InChIKeyMLIMVQICAZCUTQ-UHFFFAOYSA-N
MW2712.65 g/mol
LogP12.02
Rot. Bonds22

About tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine

tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine (PubChem CID 165029679) has the molecular formula C124H135F13N36O21 and a molecular weight of 2712.65 g/mol. Its IUPAC name is tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine.

Molecular Properties

Compound Nametert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine
PubChem CID165029679
Molecular FormulaC124H135F13N36O21
Molecular Weight2712.65 g/mol
Exact Mass2711.04
IUPAC Nametert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC3CCC(Oc4ccc5nnc(C(F)(F)F)n5n4)CC3)cn2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1.NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1.O=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCNCC2)nc1.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(N4CCN(c5ccc(C(=O)NC6CCC(Oc7ccc8nnc(C(F)(F)F)n8n7)CC6)cn5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C35H33F3N10O6.C27H33F3N8O4.C22H25F3N8O2.C15H21N3O4.C13H9FN2O4.C12H14F3N5O/c36-35(37,38)34-43-42-26-11-13-28(44-48(26)34)54-21-7-5-20(6-8-21)40-30(50)19-4-10-25(39-18-19)46-16-14-45(15-17-46)23-3-1-2-22-29(23)33(53)47(32(22)52)24-9-12-27(49)41-31(24)51;1-26(2,3)42-25(40)37-14-12-36(13-15-37)20-9-4-17(16-31-20)23(39)32-18-5-7-19(8-6-18)41-22-11-10-21-33-34-24(27(28,29)30)38(21)35-22;23-22(24,25)21-30-29-18-7-8-19(31-33(18)21)35-16-4-2-15(3-5-16)28-20(34)14-1-6-17(27-13-14)32-11-9-26-10-12-32;1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-5-4-11(10-16-12)13(19)20;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;13-12(14,15)11-18-17-9-5-6-10(19-20(9)11)21-8-3-1-7(16)2-4-8/h1-4,10-11,13,18,20-21,24H,5-9,12,14-17H2,(H,40,50)(H,41,49,51);4,9-11,16,18-19H,5-8,12-15H2,1-3H3,(H,32,39);1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34);4-5,10H,6-9H2,1-3H3,(H,19,20);1-3,8H,4-5H2,(H,15,17,18);5-8H,1-4,16H2
InChIKeyMLIMVQICAZCUTQ-UHFFFAOYSA-N
XLogP12.02
TPSA665.83 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds22
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002712.65
LogP ≤ 512.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(difluoromethyl)-1-[4-[[[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599496
N-[3-(difluoromethyl)-1-[4-[[[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599498
N-[3-(difluoromethyl)-1-[4-[[2-[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156904495
2-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]benzoic acid;3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
CID 157231931
CID 157345855
CID 157345855
acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)
CID 157420759
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157724632
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
acetic acid;N-[[6-(azepan-1-yl)-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]-1-phenylmethanamine;N-cyclohexyl-1-methyl-5-piperidin-1-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)benzamide;1-methyl-6-[(2-phenylphenyl)methoxy]-N-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine-3-carboxamide;hexakis(2,2,2-trifluoroacetic acid);hydrochloride
CID 157929419
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158122701
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158354776
CID 159073939
CID 159073939

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine?
The IUPAC name of tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine (CID 165029679) is tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine.
What is the SMILES notation for tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine?
The canonical SMILES for tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine is CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC3CCC(Oc4ccc5nnc(C(F)(F)F)n5n4)CC3)cn2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1.NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1.O=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCNCC2)nc1.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(N4CCN(c5ccc(C(=O)NC6CCC(Oc7ccc8nnc(C(F)(F)F)n8n7)CC6)cn5)CC4)c3C2=O)C(=O)N1.
What is the InChIKey of tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine?
The InChIKey is MLIMVQICAZCUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N10O6.C27H33F3N8O4.C22H25F3N8O2.C15H21N3O4.C13H9FN2O4.C12H14F3N5O/c36-35(37,38)34-43-42-26-11-13-28(44-48(26)34)54-21-7-5-20(6-8-21)40-30(50)19-4-10-25(39-18-19)46-16-14-45(15-17-46)23-3-1-2-22-29(23)33(53)47(32(22)52)24-9-12-27(49)41-31(24)51;1-26(2,3)42-25(40)37-14-12-36(13-15-37)20-9-4-17(16-31-20)23(39)32-18-5-7-19(8-6-18)41-22-11-10-21-33-34-24(27(28,29)30)38(21)35-22;23-22(24,25)21-30-29-18-7-8-19(31-33(18)21)35-16-4-2-15(3-5-16)28-20(34)14-1-6-17(27-13-14)32-11-9-26-10-12-32;1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-5-4-11(10-16-12)13(19)20;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;13-12(14,15)11-18-17-9-5-6-10(19-20(9)11)21-8-3-1-7(16)2-4-8/h1-4,10-11,13,18,20-21,24H,5-9,12,14-17H2,(H,40,50)(H,41,49,51);4,9-11,16,18-19H,5-8,12-15H2,1-3H3,(H,32,39);1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34);4-5,10H,6-9H2,1-3H3,(H,19,20);1-3,8H,4-5H2,(H,15,17,18);5-8H,1-4,16H2.
What are the key properties of tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine?
tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine has a molecular weight of 2712.65 g/mol, XLogP of 12.02, 22 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexan-1-amine is sourced from PubChem (CID 165029679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).