3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid

C126H144BBrF6N20O21 — CID 164961300

IUPAC3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid
SMILESCC1(C)OB(C2=CCCCC2)OC1(C)C.O=C(O)COCCCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1.O=C1CCC(N2Cc3cc(Br)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCCCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCN(C(=O)COCCCCOc5ccc(C6CCN(C7=Nn8c(nnc8C(F)(F)F)CC7)CC6)cc5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C41H45F3N8O6.C23H28F3N5O4.C19H20N2O3.C18H19N3O3.C13H11BrN2O3.C12H21BO2/c42-41(43,44)40-47-46-34-10-11-35(48-52(34)40)49-17-13-27(14-18-49)26-3-6-31(7-4-26)58-22-2-1-21-57-25-37(54)50-19-15-28(16-20-50)29-5-8-32-30(23-29)24-51(39(32)56)33-9-12-36(53)45-38(33)55;24-23(25,26)22-28-27-19-7-8-20(29-31(19)22)30-11-9-17(10-12-30)16-3-5-18(6-4-16)35-14-2-1-13-34-15-21(32)33;22-17-9-8-16(18(23)20-17)21-11-14-10-13(6-7-15(14)19(21)24)12-4-2-1-3-5-12;22-16-4-3-15(17(23)20-16)21-10-13-9-12(1-2-14(13)18(21)24)11-5-7-19-8-6-11;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h3-8,15,23,27,33H,1-2,9-14,16-22,24-25H2,(H,45,53,55);3-6,17H,1-2,7-15H2,(H,32,33);4,6-7,10,16H,1-3,5,8-9,11H2,(H,20,22,23);1-2,5,9,15,19H,3-4,6-8,10H2,(H,20,22,23);1-2,5,10H,3-4,6H2,(H,15,17,18);8H,5-7,9H2,1-4H3
InChIKeyBWMJFBASIWJRIC-UHFFFAOYSA-N
MW2479.36 g/mol
LogP15.64
Rot. Bonds26

About 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid

3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid (PubChem CID 164961300) has the molecular formula C126H144BBrF6N20O21 and a molecular weight of 2479.36 g/mol. Its IUPAC name is 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid.

Molecular Properties

Compound Name3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid
PubChem CID164961300
Molecular FormulaC126H144BBrF6N20O21
Molecular Weight2479.36 g/mol
Exact Mass2477.00
IUPAC Name3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid
SMILESCC1(C)OB(C2=CCCCC2)OC1(C)C.O=C(O)COCCCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1.O=C1CCC(N2Cc3cc(Br)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCCCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCN(C(=O)COCCCCOc5ccc(C6CCN(C7=Nn8c(nnc8C(F)(F)F)CC7)CC6)cc5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C41H45F3N8O6.C23H28F3N5O4.C19H20N2O3.C18H19N3O3.C13H11BrN2O3.C12H21BO2/c42-41(43,44)40-47-46-34-10-11-35(48-52(34)40)49-17-13-27(14-18-49)26-3-6-31(7-4-26)58-22-2-1-21-57-25-37(54)50-19-15-28(16-20-50)29-5-8-32-30(23-29)24-51(39(32)56)33-9-12-36(53)45-38(33)55;24-23(25,26)22-28-27-19-7-8-20(29-31(19)22)30-11-9-17(10-12-30)16-3-5-18(6-4-16)35-14-2-1-13-34-15-21(32)33;22-17-9-8-16(18(23)20-17)21-11-14-10-13(6-7-15(14)19(21)24)12-4-2-1-3-5-12;22-16-4-3-15(17(23)20-16)21-10-13-9-12(1-2-14(13)18(21)24)11-5-7-19-8-6-11;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h3-8,15,23,27,33H,1-2,9-14,16-22,24-25H2,(H,45,53,55);3-6,17H,1-2,7-15H2,(H,32,33);4,6-7,10,16H,1-3,5,8-9,11H2,(H,20,22,23);1-2,5,9,15,19H,3-4,6-8,10H2,(H,20,22,23);1-2,5,10H,3-4,6H2,(H,15,17,18);8H,5-7,9H2,1-4H3
InChIKeyBWMJFBASIWJRIC-UHFFFAOYSA-N
XLogP15.64
TPSA483.56 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002479.36
LogP ≤ 515.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 164518199
2-[3-[2-[[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]acetyl]amino]ethoxy]propoxy]acetic acid
CID 164518183
1-[4-[3-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propyl]piperazin-1-yl]ethanone
CID 46893584
N-methyl-5-oxo-2-[3-oxo-6-[3-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]prop-1-ynyl]-1H-isoindol-2-yl]pentanamide
CID 167147780
3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]propanoic acid;2,2,2-trifluoroacetic acid
CID 175703596
4-[4-[4-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]hexoxy]phenyl]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 168992779
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide
CID 175822690
2-tert-butyl-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 138562678
tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid
CID 164968046
3-[6-(6-methoxypyridazin-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 167764254
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
(3S)-3-[6-[4-amino-3-[5-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentoxy]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134583013

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?
The IUPAC name of 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid (CID 164961300) is 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid.
What is the SMILES notation for 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?
The canonical SMILES for 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid is CC1(C)OB(C2=CCCCC2)OC1(C)C.O=C(O)COCCCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1.O=C1CCC(N2Cc3cc(Br)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCCCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCN(C(=O)COCCCCOc5ccc(C6CCN(C7=Nn8c(nnc8C(F)(F)F)CC7)CC6)cc5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4=CCNCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?
The InChIKey is BWMJFBASIWJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45F3N8O6.C23H28F3N5O4.C19H20N2O3.C18H19N3O3.C13H11BrN2O3.C12H21BO2/c42-41(43,44)40-47-46-34-10-11-35(48-52(34)40)49-17-13-27(14-18-49)26-3-6-31(7-4-26)58-22-2-1-21-57-25-37(54)50-19-15-28(16-20-50)29-5-8-32-30(23-29)24-51(39(32)56)33-9-12-36(53)45-38(33)55;24-23(25,26)22-28-27-19-7-8-20(29-31(19)22)30-11-9-17(10-12-30)16-3-5-18(6-4-16)35-14-2-1-13-34-15-21(32)33;22-17-9-8-16(18(23)20-17)21-11-14-10-13(6-7-15(14)19(21)24)12-4-2-1-3-5-12;22-16-4-3-15(17(23)20-16)21-10-13-9-12(1-2-14(13)18(21)24)11-5-7-19-8-6-11;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h3-8,15,23,27,33H,1-2,9-14,16-22,24-25H2,(H,45,53,55);3-6,17H,1-2,7-15H2,(H,32,33);4,6-7,10,16H,1-3,5,8-9,11H2,(H,20,22,23);1-2,5,9,15,19H,3-4,6-8,10H2,(H,20,22,23);1-2,5,10H,3-4,6H2,(H,15,17,18);8H,5-7,9H2,1-4H3.
What are the key properties of 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?
3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid has a molecular weight of 2479.36 g/mol, XLogP of 15.64, 26 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[6-(cyclohexen-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[3-oxo-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[1-[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid is sourced from PubChem (CID 164961300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).