2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

C191H216F12N38O32 — CID 163489539

IUPAC2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESC=C1CCC(N2C(=O)c3cccc(NCC(=O)NCCCCCCCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCC(=O)NCCOCCOCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCN(CCOCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C49H57F3N10O6.C48H54F3N9O11.C47H53F3N10O8.C47H52F3N9O7/c1-31-17-20-40(46(65)57-31)62-47(66)34-14-12-16-38(44(34)48(62)67)55-30-43(63)54-21-10-6-4-5-7-11-22-60-23-25-61(26-24-60)32-18-19-37(41(27-32)68-3)59-42-28-39(35(29-56-42)49(50,51)52)58-36-15-9-8-13-33(36)45(64)53-2;1-52-44(63)31-6-3-4-8-34(31)55-36-27-40(54-28-33(36)48(49,50)51)56-35-11-10-30(26-39(35)67-2)59-17-15-58(16-18-59)19-21-69-23-25-70-24-22-68-20-14-53-42(62)29-71-38-9-5-7-32-43(38)47(66)60(46(32)65)37-12-13-41(61)57-45(37)64;1-29-11-14-38(44(63)55-29)60-45(64)32-8-6-10-36(42(32)46(60)65)53-28-41(61)52-15-21-67-23-24-68-22-20-58-16-18-59(19-17-58)30-12-13-35(39(25-30)66-3)57-40-26-37(33(27-54-40)47(48,49)50)56-34-9-5-4-7-31(34)43(62)51-2;1-29-15-18-37(44(62)54-29)59-45(63)32-12-10-14-38(42(32)46(59)64)66-28-41(60)52-19-8-4-5-9-20-57-21-23-58(24-22-57)30-16-17-35(39(25-30)65-3)56-40-26-36(33(27-53-40)47(48,49)50)55-34-13-7-6-11-31(34)43(61)51-2/h8-9,12-16,18-19,27-29,40,55H,1,4-7,10-11,17,20-26,30H2,2-3H3,(H,53,64)(H,54,63)(H,57,65)(H2,56,58,59);3-11,26-28,37H,12-25,29H2,1-2H3,(H,52,63)(H,53,62)(H2,54,55,56)(H,57,61,64);4-10,12-13,25-27,38,53H,1,11,14-24,28H2,2-3H3,(H,51,62)(H,52,61)(H,55,63)(H2,54,56,57);6-7,10-14,16-17,25-27,37H,1,4-5,8-9,15,18-24,28H2,2-3H3,(H,51,61)(H,52,60)(H,54,62)(H2,53,55,56)
InChIKeyCLKDETDBLVKWEA-UHFFFAOYSA-N
MW3784.04 g/mol
LogP21.71
Rot. Bonds81

About 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 163489539) has the molecular formula C191H216F12N38O32 and a molecular weight of 3784.04 g/mol. Its IUPAC name is 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID163489539
Molecular FormulaC191H216F12N38O32
Molecular Weight3784.04 g/mol
Exact Mass3781.63
IUPAC Name2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESC=C1CCC(N2C(=O)c3cccc(NCC(=O)NCCCCCCCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCC(=O)NCCOCCOCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCN(CCOCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C49H57F3N10O6.C48H54F3N9O11.C47H53F3N10O8.C47H52F3N9O7/c1-31-17-20-40(46(65)57-31)62-47(66)34-14-12-16-38(44(34)48(62)67)55-30-43(63)54-21-10-6-4-5-7-11-22-60-23-25-61(26-24-60)32-18-19-37(41(27-32)68-3)59-42-28-39(35(29-56-42)49(50,51)52)58-36-15-9-8-13-33(36)45(64)53-2;1-52-44(63)31-6-3-4-8-34(31)55-36-27-40(54-28-33(36)48(49,50)51)56-35-11-10-30(26-39(35)67-2)59-17-15-58(16-18-59)19-21-69-23-25-70-24-22-68-20-14-53-42(62)29-71-38-9-5-7-32-43(38)47(66)60(46(32)65)37-12-13-41(61)57-45(37)64;1-29-11-14-38(44(63)55-29)60-45(64)32-8-6-10-36(42(32)46(60)65)53-28-41(61)52-15-21-67-23-24-68-22-20-58-16-18-59(19-17-58)30-12-13-35(39(25-30)66-3)57-40-26-37(33(27-54-40)47(48,49)50)56-34-9-5-4-7-31(34)43(62)51-2;1-29-15-18-37(44(62)54-29)59-45(63)32-12-10-14-38(42(32)46(59)64)66-28-41(60)52-19-8-4-5-9-20-57-21-23-58(24-22-57)30-16-17-35(39(25-30)65-3)56-40-26-36(33(27-53-40)47(48,49)50)55-34-13-7-6-11-31(34)43(61)51-2/h8-9,12-16,18-19,27-29,40,55H,1,4-7,10-11,17,20-26,30H2,2-3H3,(H,53,64)(H,54,63)(H,57,65)(H2,56,58,59);3-11,26-28,37H,12-25,29H2,1-2H3,(H,52,63)(H,53,62)(H2,54,55,56)(H,57,61,64);4-10,12-13,25-27,38,53H,1,11,14-24,28H2,2-3H3,(H,51,62)(H,52,61)(H,55,63)(H2,54,56,57);6-7,10-14,16-17,25-27,37H,1,4-5,8-9,15,18-24,28H2,2-3H3,(H,51,61)(H,52,60)(H,54,62)(H2,53,55,56)
InChIKeyCLKDETDBLVKWEA-UHFFFAOYSA-N
XLogP21.71
TPSA815.10 Ų
H-Bond Donors22
H-Bond Acceptors54
Rotatable Bonds81
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003784.04
LogP ≤ 521.71
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide with MolForge

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Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[6-(4-phenylpiperazin-1-yl)hexyl]acetamide
CID 163732964
4-anilino-6-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decylamino]-N-methylquinoline-3-carboxamide
CID 156535527
7-cyclopentyl-2-[[5-[4-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 138498330
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[5-[[2-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)anilino]-6-methylpyrimidin-4-yl]amino]pentyl]acetamide
CID 177188377
N-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-2-fluoro-5-methoxybenzamide
CID 170549644
N-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]pentyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 154980819
2-[[2-[4-[1-(6-aminohexyl)piperidin-4-yl]-5-methyl-2-propan-2-yloxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl N-(6-bromohexyl)carbamate;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[[2-[4-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperidin-4-yl]-5-methyl-2-propan-2-yloxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 163452413
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 146552503
4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide
CID 134164445
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]acetamide;ethane
CID 178004650
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 170060386
N-[4-[4-[4-[[5-chloro-4-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]butyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 170241846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (CID 163489539) is 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is C=C1CCC(N2C(=O)c3cccc(NCC(=O)NCCCCCCCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCC(=O)NCCOCCOCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCN4CCN(c5ccc(Nc6cc(Nc7ccccc7C(=O)NC)c(C(F)(F)F)cn6)c(OC)c5)CC4)c3C2=O)C(=O)N1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCN(CCOCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is CLKDETDBLVKWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H57F3N10O6.C48H54F3N9O11.C47H53F3N10O8.C47H52F3N9O7/c1-31-17-20-40(46(65)57-31)62-47(66)34-14-12-16-38(44(34)48(62)67)55-30-43(63)54-21-10-6-4-5-7-11-22-60-23-25-61(26-24-60)32-18-19-37(41(27-32)68-3)59-42-28-39(35(29-56-42)49(50,51)52)58-36-15-9-8-13-33(36)45(64)53-2;1-52-44(63)31-6-3-4-8-34(31)55-36-27-40(54-28-33(36)48(49,50)51)56-35-11-10-30(26-39(35)67-2)59-17-15-58(16-18-59)19-21-69-23-25-70-24-22-68-20-14-53-42(62)29-71-38-9-5-7-32-43(38)47(66)60(46(32)65)37-12-13-41(61)57-45(37)64;1-29-11-14-38(44(63)55-29)60-45(64)32-8-6-10-36(42(32)46(60)65)53-28-41(61)52-15-21-67-23-24-68-22-20-58-16-18-59(19-17-58)30-12-13-35(39(25-30)66-3)57-40-26-37(33(27-54-40)47(48,49)50)56-34-9-5-4-7-31(34)43(62)51-2;1-29-15-18-37(44(62)54-29)59-45(63)32-12-10-14-38(42(32)46(59)64)66-28-41(60)52-19-8-4-5-9-20-57-21-23-58(24-22-57)30-16-17-35(39(25-30)65-3)56-40-26-36(33(27-53-40)47(48,49)50)55-34-13-7-6-11-31(34)43(61)51-2/h8-9,12-16,18-19,27-29,40,55H,1,4-7,10-11,17,20-26,30H2,2-3H3,(H,53,64)(H,54,63)(H,57,65)(H2,56,58,59);3-11,26-28,37H,12-25,29H2,1-2H3,(H,52,63)(H,53,62)(H2,54,55,56)(H,57,61,64);4-10,12-13,25-27,38,53H,1,11,14-24,28H2,2-3H3,(H,51,62)(H,52,61)(H,55,63)(H2,54,56,57);6-7,10-14,16-17,25-27,37H,1,4-5,8-9,15,18-24,28H2,2-3H3,(H,51,61)(H,52,60)(H,54,62)(H2,53,55,56).
What are the key properties of 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 3784.04 g/mol, XLogP of 21.71, 81 rotatable bonds, 22 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[2-[2-[2-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[8-[[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[2-methoxy-4-[4-[6-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 163489539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).