3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C221H209F2N33O27S3 — CID 165047735

IUPAC3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)sc2c1.Cc1cc(-c2ccc(N(C)C)nc2)ccc1-c1nc2ccc(CCCOCCCc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1.Cc1ccc2nc(-c3ccc(-c4ccnc(NCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)cn2c1.O=C1CCC(N2Cc3cc(OCCCCCNc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6cn7cc(F)ccc7n6)cc5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4ccc(-c5ccc(C6=Cc7ccncc7C6)cc5)cn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C40H41N5O4S.C37H36N6O5S.C37H36N6O4.C36H32FN5O4S.C36H33N5O5.C35H31FN6O5/c1-25-20-28(29-11-16-36(41-23-29)44(2)3)10-13-31(25)39-42-33-14-9-27(22-35(33)50-39)7-5-19-49-18-4-6-26-8-12-32-30(21-26)24-45(40(32)48)34-15-17-37(46)43-38(34)47;1-42(2)27-7-10-30-32(21-27)49-36(40-30)24-5-3-23(4-6-24)25-13-14-38-33(20-25)39-15-16-47-17-18-48-28-8-9-29-26(19-28)22-43(37(29)46)31-11-12-34(44)41-35(31)45;1-24-5-13-34-40-31(23-42(34)21-24)26-8-6-25(7-9-26)27-15-17-39-33(20-27)38-16-3-2-4-18-47-29-10-11-30-28(19-29)22-43(37(30)46)32-12-14-35(44)41-36(32)45;37-26-8-11-29-31(20-26)47-35(40-29)23-6-4-22(5-7-23)24-14-16-39-32(19-24)38-15-2-1-3-17-46-27-9-10-28-25(18-27)21-42(36(28)45)30-12-13-33(43)41-34(30)44;42-34-10-8-32(35(43)40-34)41-22-29-19-30(6-7-31(29)36(41)44)46-16-15-45-14-13-38-33-9-5-26(21-39-33)23-1-3-24(4-2-23)27-17-25-11-12-37-20-28(25)18-27;36-26-5-9-32-39-29(21-41(32)20-26)23-3-1-22(2-4-23)24-11-12-37-31(18-24)38-13-14-46-15-16-47-27-6-7-28-25(17-27)19-42(35(28)45)30-8-10-33(43)40-34(30)44/h8-14,16,20-23,34H,4-7,15,17-19,24H2,1-3H3,(H,43,46,47);3-10,13-14,19-21,31H,11-12,15-18,22H2,1-2H3,(H,38,39)(H,41,44,45);5-11,13,15,17,19-21,23,32H,2-4,12,14,16,18,22H2,1H3,(H,38,39)(H,41,44,45);4-11,14,16,18-20,30H,1-3,12-13,15,17,21H2,(H,38,39)(H,41,43,44);1-7,9,11-12,17,19-21,32H,8,10,13-16,18,22H2,(H,38,39)(H,40,42,43);1-7,9,11-12,17-18,20-21,30H,8,10,13-16,19H2,(H,37,38)(H,40,43,44)
InChIKeyPECFOFFOMSEPGN-UHFFFAOYSA-N
MW3893.50 g/mol
LogP33.46
Rot. Bonds68

About 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165047735) has the molecular formula C221H209F2N33O27S3 and a molecular weight of 3893.50 g/mol. Its IUPAC name is 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID165047735
Molecular FormulaC221H209F2N33O27S3
Molecular Weight3893.50 g/mol
Exact Mass3890.51
IUPAC Name3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)sc2c1.Cc1cc(-c2ccc(N(C)C)nc2)ccc1-c1nc2ccc(CCCOCCCc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1.Cc1ccc2nc(-c3ccc(-c4ccnc(NCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)cn2c1.O=C1CCC(N2Cc3cc(OCCCCCNc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6cn7cc(F)ccc7n6)cc5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4ccc(-c5ccc(C6=Cc7ccncc7C6)cc5)cn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C40H41N5O4S.C37H36N6O5S.C37H36N6O4.C36H32FN5O4S.C36H33N5O5.C35H31FN6O5/c1-25-20-28(29-11-16-36(41-23-29)44(2)3)10-13-31(25)39-42-33-14-9-27(22-35(33)50-39)7-5-19-49-18-4-6-26-8-12-32-30(21-26)24-45(40(32)48)34-15-17-37(46)43-38(34)47;1-42(2)27-7-10-30-32(21-27)49-36(40-30)24-5-3-23(4-6-24)25-13-14-38-33(20-25)39-15-16-47-17-18-48-28-8-9-29-26(19-28)22-43(37(29)46)31-11-12-34(44)41-35(31)45;1-24-5-13-34-40-31(23-42(34)21-24)26-8-6-25(7-9-26)27-15-17-39-33(20-27)38-16-3-2-4-18-47-29-10-11-30-28(19-29)22-43(37(30)46)32-12-14-35(44)41-36(32)45;37-26-8-11-29-31(20-26)47-35(40-29)23-6-4-22(5-7-23)24-14-16-39-32(19-24)38-15-2-1-3-17-46-27-9-10-28-25(18-27)21-42(36(28)45)30-12-13-33(43)41-34(30)44;42-34-10-8-32(35(43)40-34)41-22-29-19-30(6-7-31(29)36(41)44)46-16-15-45-14-13-38-33-9-5-26(21-39-33)23-1-3-24(4-2-23)27-17-25-11-12-37-20-28(25)18-27;36-26-5-9-32-39-29(21-41(32)20-26)23-3-1-22(2-4-23)24-11-12-37-31(18-24)38-13-14-46-15-16-47-27-6-7-28-25(17-27)19-42(35(28)45)30-8-10-33(43)40-34(30)44/h8-14,16,20-23,34H,4-7,15,17-19,24H2,1-3H3,(H,43,46,47);3-10,13-14,19-21,31H,11-12,15-18,22H2,1-2H3,(H,38,39)(H,41,44,45);5-11,13,15,17,19-21,23,32H,2-4,12,14,16,18,22H2,1H3,(H,38,39)(H,41,44,45);4-11,14,16,18-20,30H,1-3,12-13,15,17,21H2,(H,38,39)(H,41,43,44);1-7,9,11-12,17,19-21,32H,8,10,13-16,18,22H2,(H,38,39)(H,40,42,43);1-7,9,11-12,17-18,20-21,30H,8,10,13-16,19H2,(H,37,38)(H,40,43,44)
InChIKeyPECFOFFOMSEPGN-UHFFFAOYSA-N
XLogP33.46
TPSA712.08 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds68
Heavy Atoms286
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003893.50
LogP ≤ 533.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165047735) is 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(C)c1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)sc2c1.Cc1cc(-c2ccc(N(C)C)nc2)ccc1-c1nc2ccc(CCCOCCCc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1.Cc1ccc2nc(-c3ccc(-c4ccnc(NCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)cn2c1.O=C1CCC(N2Cc3cc(OCCCCCNc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6cn7cc(F)ccc7n6)cc5)ccn4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OCCOCCNc4ccc(-c5ccc(C6=Cc7ccncc7C6)cc5)cn4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is PECFOFFOMSEPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41N5O4S.C37H36N6O5S.C37H36N6O4.C36H32FN5O4S.C36H33N5O5.C35H31FN6O5/c1-25-20-28(29-11-16-36(41-23-29)44(2)3)10-13-31(25)39-42-33-14-9-27(22-35(33)50-39)7-5-19-49-18-4-6-26-8-12-32-30(21-26)24-45(40(32)48)34-15-17-37(46)43-38(34)47;1-42(2)27-7-10-30-32(21-27)49-36(40-30)24-5-3-23(4-6-24)25-13-14-38-33(20-25)39-15-16-47-17-18-48-28-8-9-29-26(19-28)22-43(37(29)46)31-11-12-34(44)41-35(31)45;1-24-5-13-34-40-31(23-42(34)21-24)26-8-6-25(7-9-26)27-15-17-39-33(20-27)38-16-3-2-4-18-47-29-10-11-30-28(19-29)22-43(37(30)46)32-12-14-35(44)41-36(32)45;37-26-8-11-29-31(20-26)47-35(40-29)23-6-4-22(5-7-23)24-14-16-39-32(19-24)38-15-2-1-3-17-46-27-9-10-28-25(18-27)21-42(36(28)45)30-12-13-33(43)41-34(30)44;42-34-10-8-32(35(43)40-34)41-22-29-19-30(6-7-31(29)36(41)44)46-16-15-45-14-13-38-33-9-5-26(21-39-33)23-1-3-24(4-2-23)27-17-25-11-12-37-20-28(25)18-27;36-26-5-9-32-39-29(21-41(32)20-26)23-3-1-22(2-4-23)24-11-12-37-31(18-24)38-13-14-46-15-16-47-27-6-7-28-25(17-27)19-42(35(28)45)30-8-10-33(43)40-34(30)44/h8-14,16,20-23,34H,4-7,15,17-19,24H2,1-3H3,(H,43,46,47);3-10,13-14,19-21,31H,11-12,15-18,22H2,1-2H3,(H,38,39)(H,41,44,45);5-11,13,15,17,19-21,23,32H,2-4,12,14,16,18,22H2,1H3,(H,38,39)(H,41,44,45);4-11,14,16,18-20,30H,1-3,12-13,15,17,21H2,(H,38,39)(H,41,43,44);1-7,9,11-12,17,19-21,32H,8,10,13-16,18,22H2,(H,38,39)(H,40,42,43);1-7,9,11-12,17-18,20-21,30H,8,10,13-16,19H2,(H,37,38)(H,40,43,44).
What are the key properties of 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 3893.50 g/mol, XLogP of 33.46, 68 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[2-[[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[[4-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165047735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).