tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide

C148H177F13N40O21 — CID 165062545

IUPACtert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc6nnc(C(F)(F)F)n6n5)CC4)cn3)CC2)CC1.O=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCN(CC3CCNCC3)CC2)nc1.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(N4CCC(CN5CCN(c6ccc(C(=O)NC7CCC(Oc8ccc9nnc(C(F)(F)F)n9n8)CC7)cn6)CC5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C41H44F3N11O6.C33H44F3N9O4.C28H36F3N9O2.C22H25F3N8O2.C13H9FN2O4.C11H19NO3/c42-41(43,44)40-49-48-32-11-13-34(50-55(32)40)61-27-7-5-26(6-8-27)46-36(57)25-4-10-31(45-22-25)53-20-18-51(19-21-53)23-24-14-16-52(17-15-24)29-3-1-2-28-35(29)39(60)54(38(28)59)30-9-12-33(56)47-37(30)58;1-32(2,3)49-31(47)44-14-12-22(13-15-44)21-42-16-18-43(19-17-42)26-9-4-23(20-37-26)29(46)38-24-5-7-25(8-6-24)48-28-11-10-27-39-40-30(33(34,35)36)45(27)41-28;29-28(30,31)27-36-35-24-7-8-25(37-40(24)27)42-22-4-2-21(3-5-22)34-26(41)20-1-6-23(33-17-20)39-15-13-38(14-16-39)18-19-9-11-32-12-10-19;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;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h1-4,10-11,13,22,24,26-27,30H,5-9,12,14-21,23H2,(H,46,57)(H,47,56,58);4,9-11,20,22,24-25H,5-8,12-19,21H2,1-3H3,(H,38,46);1,6-8,17,19,21-22,32H,2-5,9-16,18H2,(H,34,41);1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34);1-3,8H,4-5H2,(H,15,17,18);8-9H,4-7H2,1-3H3
InChIKeyRLAVRPVBRTWGQP-UHFFFAOYSA-N
MW3099.28 g/mol
LogP14.43
Rot. Bonds30

About tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide

tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide (PubChem CID 165062545) has the molecular formula C148H177F13N40O21 and a molecular weight of 3099.28 g/mol. Its IUPAC name is tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
PubChem CID165062545
Molecular FormulaC148H177F13N40O21
Molecular Weight3099.28 g/mol
Exact Mass3097.38
IUPAC Nametert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc6nnc(C(F)(F)F)n6n5)CC4)cn3)CC2)CC1.O=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCN(CC3CCNCC3)CC2)nc1.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(N4CCC(CN5CCN(c6ccc(C(=O)NC7CCC(Oc8ccc9nnc(C(F)(F)F)n9n8)CC7)cn6)CC5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C41H44F3N11O6.C33H44F3N9O4.C28H36F3N9O2.C22H25F3N8O2.C13H9FN2O4.C11H19NO3/c42-41(43,44)40-49-48-32-11-13-34(50-55(32)40)61-27-7-5-26(6-8-27)46-36(57)25-4-10-31(45-22-25)53-20-18-51(19-21-53)23-24-14-16-52(17-15-24)29-3-1-2-28-35(29)39(60)54(38(28)59)30-9-12-33(56)47-37(30)58;1-32(2,3)49-31(47)44-14-12-22(13-15-44)21-42-16-18-43(19-17-42)26-9-4-23(20-37-26)29(46)38-24-5-7-25(8-6-24)48-28-11-10-27-39-40-30(33(34,35)36)45(27)41-28;29-28(30,31)27-36-35-24-7-8-25(37-40(24)27)42-22-4-2-21(3-5-22)34-26(41)20-1-6-23(33-17-20)39-15-13-38(14-16-39)18-19-9-11-32-12-10-19;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;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h1-4,10-11,13,22,24,26-27,30H,5-9,12,14-21,23H2,(H,46,57)(H,47,56,58);4,9-11,20,22,24-25H,5-8,12-19,21H2,1-3H3,(H,38,46);1,6-8,17,19,21-22,32H,2-5,9-16,18H2,(H,34,41);1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34);1-3,8H,4-5H2,(H,15,17,18);8-9H,4-7H2,1-3H3
InChIKeyRLAVRPVBRTWGQP-UHFFFAOYSA-N
XLogP14.43
TPSA670.43 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds30
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003099.28
LogP ≤ 514.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide (CID 165062545) is tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc6nnc(C(F)(F)F)n6n5)CC4)cn3)CC2)CC1.O=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCN(CC3CCNCC3)CC2)nc1.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(N4CCC(CN5CCN(c6ccc(C(=O)NC7CCC(Oc8ccc9nnc(C(F)(F)F)n9n8)CC7)cn6)CC5)CC4)c3C2=O)C(=O)N1.
What is the InChIKey of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is RLAVRPVBRTWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44F3N11O6.C33H44F3N9O4.C28H36F3N9O2.C22H25F3N8O2.C13H9FN2O4.C11H19NO3/c42-41(43,44)40-49-48-32-11-13-34(50-55(32)40)61-27-7-5-26(6-8-27)46-36(57)25-4-10-31(45-22-25)53-20-18-51(19-21-53)23-24-14-16-52(17-15-24)29-3-1-2-28-35(29)39(60)54(38(28)59)30-9-12-33(56)47-37(30)58;1-32(2,3)49-31(47)44-14-12-22(13-15-44)21-42-16-18-43(19-17-42)26-9-4-23(20-37-26)29(46)38-24-5-7-25(8-6-24)48-28-11-10-27-39-40-30(33(34,35)36)45(27)41-28;29-28(30,31)27-36-35-24-7-8-25(37-40(24)27)42-22-4-2-21(3-5-22)34-26(41)20-1-6-23(33-17-20)39-15-13-38(14-16-39)18-19-9-11-32-12-10-19;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;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h1-4,10-11,13,22,24,26-27,30H,5-9,12,14-21,23H2,(H,46,57)(H,47,56,58);4,9-11,20,22,24-25H,5-8,12-19,21H2,1-3H3,(H,38,46);1,6-8,17,19,21-22,32H,2-5,9-16,18H2,(H,34,41);1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34);1-3,8H,4-5H2,(H,15,17,18);8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 3099.28 g/mol, XLogP of 14.43, 30 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[[4-[5-[[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]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-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide;6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 165062545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).