(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide

C196H166F3N35O15S7 — CID 159329091

IUPAC(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cccc(F)c1)N1Cc2ccc(-c3ccc(CN4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1cccc(F)c1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.O=C(Nc1nccs1)C(c1ccccn1)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1ccccn1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc(CN4CCNCC4)cc3)cc2C1=O.O=C(Nc1nncs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C30H28FN5O2S.C30H29N5O2S.C29H26FN5O3S.C28H26N6O2S.C27H19FN4O2S.2C26H19N5O2S/c31-25-3-1-2-23(16-25)27(28(37)34-30-33-12-15-39-30)36-19-24-9-8-22(17-26(24)29(36)38)21-6-4-20(5-7-21)18-35-13-10-32-11-14-35;36-28(33-30-32-14-17-38-30)27(23-4-2-1-3-5-23)35-20-25-11-10-24(18-26(25)29(35)37)22-8-6-21(7-9-22)19-34-15-12-31-13-16-34;30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34;35-26(32-28-31-13-16-37-28)25(24-3-1-2-10-30-24)34-18-21-5-4-20(17-23(21)27(34)36)19-6-8-22(9-7-19)33-14-11-29-12-15-33;28-21-3-1-2-19(13-21)24(25(33)31-27-30-10-11-35-27)32-15-20-5-4-17(14-22(20)26(32)34)16-6-7-23-18(12-16)8-9-29-23;32-24(30-26-29-11-12-34-26)23(22-3-1-2-9-27-22)31-15-19-5-4-17(14-20(19)25(31)33)16-6-7-21-18(13-16)8-10-28-21;32-24(29-26-30-28-15-34-26)23(16-4-2-1-3-5-16)31-14-20-7-6-18(13-21(20)25(31)33)17-8-9-22-19(12-17)10-11-27-22/h1-9,12,15-17,27,32H,10-11,13-14,18-19H2,(H,33,34,37);1-11,14,17-18,27,31H,12-13,15-16,19-20H2,(H,32,33,36);1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37);1-10,13,16-17,25,29H,11-12,14-15,18H2,(H,31,32,35);1-14,24,29H,15H2,(H,30,31,33);1-14,23,28H,15H2,(H,29,30,32);1-13,15,23,27H,14H2,(H,29,30,32)/t;27-;26-;;;;23-/m.11...1/s1
InChIKeyLESZOTZVDFYQHI-LGSFZWGZSA-N
MW3533.18 g/mol
LogP33.40
Rot. Bonds41

About (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide

(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 159329091) has the molecular formula C196H166F3N35O15S7 and a molecular weight of 3533.18 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID159329091
Molecular FormulaC196H166F3N35O15S7
Molecular Weight3533.18 g/mol
Exact Mass3530.13
IUPAC Name(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cccc(F)c1)N1Cc2ccc(-c3ccc(CN4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1cccc(F)c1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.O=C(Nc1nccs1)C(c1ccccn1)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1ccccn1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc(CN4CCNCC4)cc3)cc2C1=O.O=C(Nc1nncs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C30H28FN5O2S.C30H29N5O2S.C29H26FN5O3S.C28H26N6O2S.C27H19FN4O2S.2C26H19N5O2S/c31-25-3-1-2-23(16-25)27(28(37)34-30-33-12-15-39-30)36-19-24-9-8-22(17-26(24)29(36)38)21-6-4-20(5-7-21)18-35-13-10-32-11-14-35;36-28(33-30-32-14-17-38-30)27(23-4-2-1-3-5-23)35-20-25-11-10-24(18-26(25)29(35)37)22-8-6-21(7-9-22)19-34-15-12-31-13-16-34;30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34;35-26(32-28-31-13-16-37-28)25(24-3-1-2-10-30-24)34-18-21-5-4-20(17-23(21)27(34)36)19-6-8-22(9-7-19)33-14-11-29-12-15-33;28-21-3-1-2-19(13-21)24(25(33)31-27-30-10-11-35-27)32-15-20-5-4-17(14-22(20)26(32)34)16-6-7-23-18(12-16)8-9-29-23;32-24(30-26-29-11-12-34-26)23(22-3-1-2-9-27-22)31-15-19-5-4-17(14-20(19)25(31)33)16-6-7-21-18(13-16)8-10-28-21;32-24(29-26-30-28-15-34-26)23(16-4-2-1-3-5-16)31-14-20-7-6-18(13-21(20)25(31)33)17-8-9-22-19(12-17)10-11-27-22/h1-9,12,15-17,27,32H,10-11,13-14,18-19H2,(H,33,34,37);1-11,14,17-18,27,31H,12-13,15-16,19-20H2,(H,32,33,36);1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37);1-10,13,16-17,25,29H,11-12,14-15,18H2,(H,31,32,35);1-14,24,29H,15H2,(H,30,31,33);1-14,23,28H,15H2,(H,29,30,32);1-13,15,23,27H,14H2,(H,29,30,32)/t;27-;26-;;;;23-/m.11...1/s1
InChIKeyLESZOTZVDFYQHI-LGSFZWGZSA-N
XLogP33.40
TPSA603.45 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds41
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003533.18
LogP ≤ 533.40
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 124173789
N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperidin-4-yl]-5-[2-[2-[1-(5-fluoro-2-hydroxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-oxo-1H-isoindol-5-yl]ethynyl]pyridine-2-carboxamide
CID 139382913
N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]piperidin-4-yl]-5-[2-[2-[1-(5-fluoro-2-hydroxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-oxo-1H-isoindol-5-yl]ethynyl]pyridine-2-carboxamide
CID 139383002
N-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentanoyl]piperidin-4-yl]-5-[2-[2-[1-(5-fluoro-2-hydroxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-oxo-1H-isoindol-5-yl]ethynyl]pyridine-2-carboxamide
CID 157740006
(E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 158086424
2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-N-(1H-imidazol-2-yl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenylacetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,2-oxazol-4-yl)-2-phenylacetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-pyrimidin-5-ylacetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 158699404
N-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentyl]piperidin-4-yl]-5-[2-[2-[1-(5-fluoro-2-hydroxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-oxo-1H-isoindol-5-yl]ethynyl]pyridine-2-carboxamide
CID 159428461
2-[3-[4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-(5-fluoro-2-hydroxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 166063310
2-[5-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]pyridazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-hydroxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 168160636
2-[5-[6-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]piperidin-1-yl]pyridazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-hydroxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 168160658
2-[5-[6-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]piperidin-1-yl]pyridazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-hydroxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 168160676
2-[5-[6-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]piperidin-1-yl]pyridazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-hydroxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 168160698

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide (CID 159329091) is (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1cccc(F)c1)N1Cc2ccc(-c3ccc(CN4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1cccc(F)c1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.O=C(Nc1nccs1)C(c1ccccn1)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1ccccn1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc(CN4CCNCC4)cc3)cc2C1=O.O=C(Nc1nncs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.
What is the InChIKey of (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LESZOTZVDFYQHI-LGSFZWGZSA-N. The full InChI is InChI=1S/C30H28FN5O2S.C30H29N5O2S.C29H26FN5O3S.C28H26N6O2S.C27H19FN4O2S.2C26H19N5O2S/c31-25-3-1-2-23(16-25)27(28(37)34-30-33-12-15-39-30)36-19-24-9-8-22(17-26(24)29(36)38)21-6-4-20(5-7-21)18-35-13-10-32-11-14-35;36-28(33-30-32-14-17-38-30)27(23-4-2-1-3-5-23)35-20-25-11-10-24(18-26(25)29(35)37)22-8-6-21(7-9-22)19-34-15-12-31-13-16-34;30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34;35-26(32-28-31-13-16-37-28)25(24-3-1-2-10-30-24)34-18-21-5-4-20(17-23(21)27(34)36)19-6-8-22(9-7-19)33-14-11-29-12-15-33;28-21-3-1-2-19(13-21)24(25(33)31-27-30-10-11-35-27)32-15-20-5-4-17(14-22(20)26(32)34)16-6-7-23-18(12-16)8-9-29-23;32-24(30-26-29-11-12-34-26)23(22-3-1-2-9-27-22)31-15-19-5-4-17(14-20(19)25(31)33)16-6-7-21-18(13-16)8-10-28-21;32-24(29-26-30-28-15-34-26)23(16-4-2-1-3-5-16)31-14-20-7-6-18(13-21(20)25(31)33)17-8-9-22-19(12-17)10-11-27-22/h1-9,12,15-17,27,32H,10-11,13-14,18-19H2,(H,33,34,37);1-11,14,17-18,27,31H,12-13,15-16,19-20H2,(H,32,33,36);1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37);1-10,13,16-17,25,29H,11-12,14-15,18H2,(H,31,32,35);1-14,24,29H,15H2,(H,30,31,33);1-14,23,28H,15H2,(H,29,30,32);1-13,15,23,27H,14H2,(H,29,30,32)/t;27-;26-;;;;23-/m.11...1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide?
(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 3533.18 g/mol, XLogP of 33.40, 41 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(3-fluorophenyl)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 159329091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).