2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine

C108H110F10N18O17 — CID 167634073

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCC=O)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5C(F)(F)F)C4)nc3)cc21.FC(F)(F)C1CNCCN1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNC(C(F)(F)F)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C45H46F3N7O6.C27H29N3O3.C18H17F3N4O4.C13H9FN2O4.C5H9F3N2/c1-52-36-14-15-49-25-35(36)32-9-6-27(20-38(32)52)28-7-13-41(50-24-28)61-31-22-30(23-31)60-19-5-3-2-4-16-53-17-18-54(26-39(53)45(46,47)48)29-8-10-33-34(21-29)44(59)55(43(33)58)37-11-12-40(56)51-42(37)57;1-30-25-10-11-28-18-24(25)23-8-6-19(14-26(23)30)20-7-9-27(29-17-20)33-22-15-21(16-22)32-13-5-3-2-4-12-31;19-18(20,21)13-8-24(6-5-22-13)9-1-2-10-11(7-9)17(29)25(16(10)28)12-3-4-14(26)23-15(12)27;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;6-5(7,8)4-3-9-1-2-10-4/h6-10,13-15,20-21,24-25,30-31,37,39H,2-5,11-12,16-19,22-23,26H2,1H3,(H,51,56,57);6-12,14,17-18,21-22H,2-5,13,15-16H2,1H3;1-2,7,12-13,22H,3-6,8H2,(H,23,26,27);1-2,5,9H,3-4H2,(H,15,17,18);4,9-10H,1-3H2
InChIKeyOFIFEZUZFJEQPQ-UHFFFAOYSA-N
MW2122.16 g/mol
LogP12.67
Rot. Bonds26

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine

2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine (PubChem CID 167634073) has the molecular formula C108H110F10N18O17 and a molecular weight of 2122.16 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine
PubChem CID167634073
Molecular FormulaC108H110F10N18O17
Molecular Weight2122.16 g/mol
Exact Mass2120.81
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCC=O)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5C(F)(F)F)C4)nc3)cc21.FC(F)(F)C1CNCCN1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNC(C(F)(F)F)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C45H46F3N7O6.C27H29N3O3.C18H17F3N4O4.C13H9FN2O4.C5H9F3N2/c1-52-36-14-15-49-25-35(36)32-9-6-27(20-38(32)52)28-7-13-41(50-24-28)61-31-22-30(23-31)60-19-5-3-2-4-16-53-17-18-54(26-39(53)45(46,47)48)29-8-10-33-34(21-29)44(59)55(43(33)58)37-11-12-40(56)51-42(37)57;1-30-25-10-11-28-18-24(25)23-8-6-19(14-26(23)30)20-7-9-27(29-17-20)33-22-15-21(16-22)32-13-5-3-2-4-12-31;19-18(20,21)13-8-24(6-5-22-13)9-1-2-10-11(7-9)17(29)25(16(10)28)12-3-4-14(26)23-15(12)27;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;6-5(7,8)4-3-9-1-2-10-4/h6-10,13-15,20-21,24-25,30-31,37,39H,2-5,11-12,16-19,22-23,26H2,1H3,(H,51,56,57);6-12,14,17-18,21-22H,2-5,13,15-16H2,1H3;1-2,7,12-13,22H,3-6,8H2,(H,23,26,27);1-2,5,9H,3-4H2,(H,15,17,18);4,9-10H,1-3H2
InChIKeyOFIFEZUZFJEQPQ-UHFFFAOYSA-N
XLogP12.67
TPSA411.87 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002122.16
LogP ≤ 512.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine (CID 167634073) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine is Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCC=O)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5C(F)(F)F)C4)nc3)cc21.FC(F)(F)C1CNCCN1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNC(C(F)(F)F)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine?
The InChIKey is OFIFEZUZFJEQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46F3N7O6.C27H29N3O3.C18H17F3N4O4.C13H9FN2O4.C5H9F3N2/c1-52-36-14-15-49-25-35(36)32-9-6-27(20-38(32)52)28-7-13-41(50-24-28)61-31-22-30(23-31)60-19-5-3-2-4-16-53-17-18-54(26-39(53)45(46,47)48)29-8-10-33-34(21-29)44(59)55(43(33)58)37-11-12-40(56)51-42(37)57;1-30-25-10-11-28-18-24(25)23-8-6-19(14-26(23)30)20-7-9-27(29-17-20)33-22-15-21(16-22)32-13-5-3-2-4-12-31;19-18(20,21)13-8-24(6-5-22-13)9-1-2-10-11(7-9)17(29)25(16(10)28)12-3-4-14(26)23-15(12)27;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;6-5(7,8)4-3-9-1-2-10-4/h6-10,13-15,20-21,24-25,30-31,37,39H,2-5,11-12,16-19,22-23,26H2,1H3,(H,51,56,57);6-12,14,17-18,21-22H,2-5,13,15-16H2,1H3;1-2,7,12-13,22H,3-6,8H2,(H,23,26,27);1-2,5,9H,3-4H2,(H,15,17,18);4,9-10H,1-3H2.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine?
2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine has a molecular weight of 2122.16 g/mol, XLogP of 12.67, 26 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal;2-(trifluoromethyl)piperazine is sourced from PubChem (CID 167634073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).