4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C209H179F2N35O33S5 — CID 165068370

IUPAC4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc2nc(-c3ccc(-c4ccc(CC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)nc4)nc3)sc2c1.COc1ccc2nc(-c3ccc(-c4ccnc(NC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)nc3)sc2c1.COc1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cn3)sc2c1.O=C(CCCOc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4s3)nc2)cn1.O=C1CCC(N2Cc3cc(OCCCC(=O)Nc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cn5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6cn7ccccc7n6)nc5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C36H31N5O6S.C35H28FN5O5S.C35H32N6O6S.C35H30N6O6S.C34H27FN6O5S.C34H31N7O5/c1-46-26-8-11-30-32(17-26)48-35(39-30)22-5-10-29(38-19-22)21-4-6-24(37-18-21)16-25(42)3-2-14-47-27-7-9-28-23(15-27)20-41(36(28)45)31-12-13-33(43)40-34(31)44;36-23-5-10-28-31(15-23)47-34(39-28)29-9-4-21(18-38-29)20-3-6-24(37-17-20)16-25(42)2-1-13-46-26-7-8-27-22(14-26)19-41(35(27)45)30-11-12-32(43)40-33(30)44;1-45-24-4-7-27-30(18-24)48-34(39-27)28-6-2-22(19-38-28)21-10-11-36-31(17-21)37-12-13-46-14-15-47-25-3-5-26-23(16-25)20-41(35(26)44)29-8-9-32(42)40-33(29)43;1-46-23-6-9-27-29(17-23)48-34(38-27)21-4-8-26(37-18-21)20-12-13-36-30(16-20)39-31(42)3-2-14-47-24-5-7-25-22(15-24)19-41(35(25)45)28-10-11-32(43)40-33(28)44;35-22-4-8-26-28(16-22)47-33(38-26)20-3-7-25(37-17-20)19-11-12-36-29(15-19)39-30(42)2-1-13-46-23-5-6-24-21(14-23)18-41(34(24)45)27-9-10-31(43)40-32(27)44;42-32-9-8-29(33(43)39-32)41-20-24-17-25(5-6-26(24)34(41)44)46-16-15-45-14-12-36-30-18-22(10-11-35-30)23-4-7-27(37-19-23)28-21-40-13-2-1-3-31(40)38-28/h4-11,15,17-19,31H,2-3,12-14,16,20H2,1H3,(H,40,43,44);3-10,14-15,17-18,30H,1-2,11-13,16,19H2,(H,40,43,44);2-7,10-11,16-19,29H,8-9,12-15,20H2,1H3,(H,36,37)(H,40,42,43);4-9,12-13,15-18,28H,2-3,10-11,14,19H2,1H3,(H,36,39,42)(H,40,43,44);3-8,11-12,14-17,27H,1-2,9-10,13,18H2,(H,36,39,42)(H,40,43,44);1-7,10-11,13,17-19,21,29H,8-9,12,14-16,20H2,(H,35,36)(H,39,42,43)
InChIKeySIMGDOSABOWXGE-UHFFFAOYSA-N
MW3907.27 g/mol
LogP28.98
Rot. Bonds63

About 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165068370) has the molecular formula C209H179F2N35O33S5 and a molecular weight of 3907.27 g/mol. Its IUPAC name is 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID165068370
Molecular FormulaC209H179F2N35O33S5
Molecular Weight3907.27 g/mol
Exact Mass3904.20
IUPAC Name4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc2nc(-c3ccc(-c4ccc(CC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)nc4)nc3)sc2c1.COc1ccc2nc(-c3ccc(-c4ccnc(NC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)nc3)sc2c1.COc1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cn3)sc2c1.O=C(CCCOc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4s3)nc2)cn1.O=C1CCC(N2Cc3cc(OCCCC(=O)Nc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cn5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6cn7ccccc7n6)nc5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C36H31N5O6S.C35H28FN5O5S.C35H32N6O6S.C35H30N6O6S.C34H27FN6O5S.C34H31N7O5/c1-46-26-8-11-30-32(17-26)48-35(39-30)22-5-10-29(38-19-22)21-4-6-24(37-18-21)16-25(42)3-2-14-47-27-7-9-28-23(15-27)20-41(36(28)45)31-12-13-33(43)40-34(31)44;36-23-5-10-28-31(15-23)47-34(39-28)29-9-4-21(18-38-29)20-3-6-24(37-17-20)16-25(42)2-1-13-46-26-7-8-27-22(14-26)19-41(35(27)45)30-11-12-32(43)40-33(30)44;1-45-24-4-7-27-30(18-24)48-34(39-27)28-6-2-22(19-38-28)21-10-11-36-31(17-21)37-12-13-46-14-15-47-25-3-5-26-23(16-25)20-41(35(26)44)29-8-9-32(42)40-33(29)43;1-46-23-6-9-27-29(17-23)48-34(38-27)21-4-8-26(37-18-21)20-12-13-36-30(16-20)39-31(42)3-2-14-47-24-5-7-25-22(15-24)19-41(35(25)45)28-10-11-32(43)40-33(28)44;35-22-4-8-26-28(16-22)47-33(38-26)20-3-7-25(37-17-20)19-11-12-36-29(15-19)39-30(42)2-1-13-46-23-5-6-24-21(14-23)18-41(34(24)45)27-9-10-31(43)40-32(27)44;42-32-9-8-29(33(43)39-32)41-20-24-17-25(5-6-26(24)34(41)44)46-16-15-45-14-12-36-30-18-22(10-11-35-30)23-4-7-27(37-19-23)28-21-40-13-2-1-3-31(40)38-28/h4-11,15,17-19,31H,2-3,12-14,16,20H2,1H3,(H,40,43,44);3-10,14-15,17-18,30H,1-2,11-13,16,19H2,(H,40,43,44);2-7,10-11,16-19,29H,8-9,12-15,20H2,1H3,(H,36,37)(H,40,42,43);4-9,12-13,15-18,28H,2-3,10-11,14,19H2,1H3,(H,36,39,42)(H,40,43,44);3-8,11-12,14-17,27H,1-2,9-10,13,18H2,(H,36,39,42)(H,40,43,44);1-7,10-11,13,17-19,21,29H,8-9,12,14-16,20H2,(H,35,36)(H,39,42,43)
InChIKeySIMGDOSABOWXGE-UHFFFAOYSA-N
XLogP28.98
TPSA853.24 Ų
H-Bond Donors10
H-Bond Acceptors59
Rotatable Bonds63
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003907.27
LogP ≤ 528.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[6-[2-[2-[[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156386764
5-[2-[2-[[5-[5-[6-(Dimethylamino)-1,3-benzothiazol-2-yl]-4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156386784
3-[6-[2-[2-[[5-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156386880
3-[6-[2-[2-[[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156386882
3-[6-[2-[2-[[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156387166
(5S)-5-(5-chlorofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-imidazo[1,2-a]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 157717922
(5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
CID 159903470
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160676374
2-[[6-[2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-3-(2,5-difluoro-4-methylphenyl)propanamide;2-[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-4,4-dimethylpentanamide;3-[[2-[4-[2-(4-phenylphenyl)pyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-7-yl]butanoylamino]methyl]furan-2-carboxamide
CID 161857853
3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione
CID 164721242
3-[6-[2-[2-[[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 164944052
3-[6-[2-[2-[[4-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 164944054

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165068370) is 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccc2nc(-c3ccc(-c4ccc(CC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)nc4)nc3)sc2c1.COc1ccc2nc(-c3ccc(-c4ccnc(NC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)nc3)sc2c1.COc1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cn3)sc2c1.O=C(CCCOc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4s3)nc2)cn1.O=C1CCC(N2Cc3cc(OCCCC(=O)Nc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cn5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6cn7ccccc7n6)nc5)ccn4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is SIMGDOSABOWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N5O6S.C35H28FN5O5S.C35H32N6O6S.C35H30N6O6S.C34H27FN6O5S.C34H31N7O5/c1-46-26-8-11-30-32(17-26)48-35(39-30)22-5-10-29(38-19-22)21-4-6-24(37-18-21)16-25(42)3-2-14-47-27-7-9-28-23(15-27)20-41(36(28)45)31-12-13-33(43)40-34(31)44;36-23-5-10-28-31(15-23)47-34(39-28)29-9-4-21(18-38-29)20-3-6-24(37-17-20)16-25(42)2-1-13-46-26-7-8-27-22(14-26)19-41(35(27)45)30-11-12-32(43)40-33(30)44;1-45-24-4-7-27-30(18-24)48-34(39-27)28-6-2-22(19-38-28)21-10-11-36-31(17-21)37-12-13-46-14-15-47-25-3-5-26-23(16-25)20-41(35(26)44)29-8-9-32(42)40-33(29)43;1-46-23-6-9-27-29(17-23)48-34(38-27)21-4-8-26(37-18-21)20-12-13-36-30(16-20)39-31(42)3-2-14-47-24-5-7-25-22(15-24)19-41(35(25)45)28-10-11-32(43)40-33(28)44;35-22-4-8-26-28(16-22)47-33(38-26)20-3-7-25(37-17-20)19-11-12-36-29(15-19)39-30(42)2-1-13-46-23-5-6-24-21(14-23)18-41(34(24)45)27-9-10-31(43)40-32(27)44;42-32-9-8-29(33(43)39-32)41-20-24-17-25(5-6-26(24)34(41)44)46-16-15-45-14-12-36-30-18-22(10-11-35-30)23-4-7-27(37-19-23)28-21-40-13-2-1-3-31(40)38-28/h4-11,15,17-19,31H,2-3,12-14,16,20H2,1H3,(H,40,43,44);3-10,14-15,17-18,30H,1-2,11-13,16,19H2,(H,40,43,44);2-7,10-11,16-19,29H,8-9,12-15,20H2,1H3,(H,36,37)(H,40,42,43);4-9,12-13,15-18,28H,2-3,10-11,14,19H2,1H3,(H,36,39,42)(H,40,43,44);3-8,11-12,14-17,27H,1-2,9-10,13,18H2,(H,36,39,42)(H,40,43,44);1-7,10-11,13,17-19,21,29H,8-9,12,14-16,20H2,(H,35,36)(H,39,42,43).
What are the key properties of 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 3907.27 g/mol, XLogP of 28.98, 63 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]butanamide;3-[6-[5-[5-[6-(6-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-(6-imidazo[1,2-a]pyridin-2-yl-3-pyridinyl)-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[6-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[5-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-oxopentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165068370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).