(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid

C219H221Cl12F2N45O20S6 — CID 163951559

IUPAC(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCNC(=O)C1CCN(Cc2nc3c(Nc4cccc(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)N7)c(OC)n6)c5Cl)c4Cl)nccc3s2)CC1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(C(F)F)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(O)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCN(C(N)=O)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC[C@H](C(=O)O)C6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6C[C@@H](O)C[C@H]6C(=O)O)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C38H40Cl2N8O3S.C37H37Cl2F2N7O2S.C36H37Cl2N9O3S.C36H35Cl2N7O5S.C36H35Cl2N7O4S.C36H37Cl2N7O3S/c1-41-37(50)22-14-17-48(18-15-22)21-32-47-35-30(52-32)13-16-43-36(35)45-29-8-4-6-26(34(29)40)25-5-3-7-27(33(25)39)28-11-9-23(38(46-28)51-2)19-42-20-24-10-12-31(49)44-24;1-50-37-22(18-42-19-23-9-11-30(49)44-23)8-10-27(46-37)26-6-2-4-24(32(26)38)25-5-3-7-28(33(25)39)45-36-34-29(12-15-43-36)51-31(47-34)20-48-16-13-21(14-17-48)35(40)41;1-50-35-21(18-40-19-22-9-11-29(48)42-22)8-10-26(44-35)25-6-2-4-23(31(25)37)24-5-3-7-27(32(24)38)43-34-33-28(12-13-41-34)51-30(45-33)20-46-14-16-47(17-15-46)36(39)49;1-50-35-19(15-39-16-20-9-11-29(47)41-20)8-10-25(43-35)24-6-2-4-22(31(24)37)23-5-3-7-26(32(23)38)42-34-33-28(12-13-40-34)51-30(44-33)18-45-17-21(46)14-27(45)36(48)49;1-49-35-20(16-39-17-22-9-11-29(46)41-22)8-10-26(43-35)25-6-2-4-23(31(25)37)24-5-3-7-27(32(24)38)42-34-33-28(12-14-40-34)50-30(44-33)19-45-15-13-21(18-45)36(47)48;1-48-36-21(18-39-19-22-9-11-30(47)41-22)8-10-27(43-36)26-6-2-4-24(32(26)37)25-5-3-7-28(33(25)38)42-35-34-29(12-15-40-35)49-31(44-34)20-45-16-13-23(46)14-17-45/h3-9,11,13,16,22,24,42H,10,12,14-15,17-21H2,1-2H3,(H,41,50)(H,43,45)(H,44,49);2-8,10,12,15,21,23,35,42H,9,11,13-14,16-20H2,1H3,(H,43,45)(H,44,49);2-8,10,12-13,22,40H,9,11,14-20H2,1H3,(H2,39,49)(H,41,43)(H,42,48);2-8,10,12-13,20-21,27,39,46H,9,11,14-18H2,1H3,(H,40,42)(H,41,47)(H,48,49);2-8,10,12,14,21-22,39H,9,11,13,15-19H2,1H3,(H,40,42)(H,41,46)(H,47,48);2-8,10,12,15,22-23,39,46H,9,11,13-14,16-20H2,1H3,(H,40,42)(H,41,47)/t24-;23-;22-;20-,21-,27-;21-,22-;22-/m000000/s1
InChIKeyRZTWWTLEZXBPPG-KFHNPOBZSA-N
MW4459.31 g/mol
LogP40.60
Rot. Bonds70

About (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid

(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 163951559) has the molecular formula C219H221Cl12F2N45O20S6 and a molecular weight of 4459.31 g/mol. Its IUPAC name is (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID163951559
Molecular FormulaC219H221Cl12F2N45O20S6
Molecular Weight4459.31 g/mol
Exact Mass4450.22
IUPAC Name(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCNC(=O)C1CCN(Cc2nc3c(Nc4cccc(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)N7)c(OC)n6)c5Cl)c4Cl)nccc3s2)CC1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(C(F)F)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(O)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCN(C(N)=O)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC[C@H](C(=O)O)C6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6C[C@@H](O)C[C@H]6C(=O)O)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C38H40Cl2N8O3S.C37H37Cl2F2N7O2S.C36H37Cl2N9O3S.C36H35Cl2N7O5S.C36H35Cl2N7O4S.C36H37Cl2N7O3S/c1-41-37(50)22-14-17-48(18-15-22)21-32-47-35-30(52-32)13-16-43-36(35)45-29-8-4-6-26(34(29)40)25-5-3-7-27(33(25)39)28-11-9-23(38(46-28)51-2)19-42-20-24-10-12-31(49)44-24;1-50-37-22(18-42-19-23-9-11-30(49)44-23)8-10-27(46-37)26-6-2-4-24(32(26)38)25-5-3-7-28(33(25)39)45-36-34-29(12-15-43-36)51-31(47-34)20-48-16-13-21(14-17-48)35(40)41;1-50-35-21(18-40-19-22-9-11-29(48)42-22)8-10-26(44-35)25-6-2-4-23(31(25)37)24-5-3-7-27(32(24)38)43-34-33-28(12-13-41-34)51-30(45-33)20-46-14-16-47(17-15-46)36(39)49;1-50-35-19(15-39-16-20-9-11-29(47)41-20)8-10-25(43-35)24-6-2-4-22(31(24)37)23-5-3-7-26(32(23)38)42-34-33-28(12-13-40-34)51-30(44-33)18-45-17-21(46)14-27(45)36(48)49;1-49-35-20(16-39-17-22-9-11-29(46)41-22)8-10-26(43-35)25-6-2-4-23(31(25)37)24-5-3-7-27(32(24)38)42-34-33-28(12-14-40-34)50-30(44-33)19-45-15-13-21(18-45)36(47)48;1-48-36-21(18-39-19-22-9-11-30(47)41-22)8-10-27(43-36)26-6-2-4-24(32(26)37)25-5-3-7-28(33(25)38)42-35-34-29(12-15-40-35)49-31(44-34)20-45-16-13-23(46)14-17-45/h3-9,11,13,16,22,24,42H,10,12,14-15,17-21H2,1-2H3,(H,41,50)(H,43,45)(H,44,49);2-8,10,12,15,21,23,35,42H,9,11,13-14,16-20H2,1H3,(H,43,45)(H,44,49);2-8,10,12-13,22,40H,9,11,14-20H2,1H3,(H2,39,49)(H,41,43)(H,42,48);2-8,10,12-13,20-21,27,39,46H,9,11,14-18H2,1H3,(H,40,42)(H,41,47)(H,48,49);2-8,10,12,14,21-22,39H,9,11,13,15-19H2,1H3,(H,40,42)(H,41,46)(H,47,48);2-8,10,12,15,22-23,39,46H,9,11,13-14,16-20H2,1H3,(H,40,42)(H,41,47)/t24-;23-;22-;20-,21-,27-;21-,22-;22-/m000000/s1
InChIKeyRZTWWTLEZXBPPG-KFHNPOBZSA-N
XLogP40.60
TPSA816.29 Ų
H-Bond Donors24
H-Bond Acceptors60
Rotatable Bonds70
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004459.31
LogP ≤ 540.60
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1060

Analyze (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 162476788
(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-(difluoromethoxy)-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 167247883
4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazin-2-one
CID 162476778
1-[[4-[2-chloro-3-[2-chloro-3-[4-methoxy-6-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidine-4-carboxylic acid
CID 146339442
methyl (3R)-1-[[2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3-fluoro-4-pyridinyl]methyl]pyrrolidine-3-carboxylate
CID 166066374
2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetaldehyde
CID 146339603
(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
CID 146339697
2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-(difluoromethoxy)-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrazin-2-yl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 167248173
1-[[2-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]anilino]-3-(trifluoromethyl)-4-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 171815429
1-[[4-[2-chloro-3-[2-chloro-3-[5-[[[(2S)-5-hydroxypyrrolidin-2-yl]methylamino]methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidine-4-carboxylic acid
CID 166832260
(3R)-1-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]pyrrolidine-3-carboxylic acid
CID 170696520
(3R)-1-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]pyrrolidine-3-carboxylic acid
CID 170697715

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 163951559) is (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid is CNC(=O)C1CCN(Cc2nc3c(Nc4cccc(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)N7)c(OC)n6)c5Cl)c4Cl)nccc3s2)CC1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(C(F)F)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(O)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCN(C(N)=O)CC6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC[C@H](C(=O)O)C6)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6C[C@@H](O)C[C@H]6C(=O)O)nc45)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RZTWWTLEZXBPPG-KFHNPOBZSA-N. The full InChI is InChI=1S/C38H40Cl2N8O3S.C37H37Cl2F2N7O2S.C36H37Cl2N9O3S.C36H35Cl2N7O5S.C36H35Cl2N7O4S.C36H37Cl2N7O3S/c1-41-37(50)22-14-17-48(18-15-22)21-32-47-35-30(52-32)13-16-43-36(35)45-29-8-4-6-26(34(29)40)25-5-3-7-27(33(25)39)28-11-9-23(38(46-28)51-2)19-42-20-24-10-12-31(49)44-24;1-50-37-22(18-42-19-23-9-11-30(49)44-23)8-10-27(46-37)26-6-2-4-24(32(26)38)25-5-3-7-28(33(25)39)45-36-34-29(12-15-43-36)51-31(47-34)20-48-16-13-21(14-17-48)35(40)41;1-50-35-21(18-40-19-22-9-11-29(48)42-22)8-10-26(44-35)25-6-2-4-23(31(25)37)24-5-3-7-27(32(24)38)43-34-33-28(12-13-41-34)51-30(45-33)20-46-14-16-47(17-15-46)36(39)49;1-50-35-19(15-39-16-20-9-11-29(47)41-20)8-10-25(43-35)24-6-2-4-22(31(24)37)23-5-3-7-26(32(23)38)42-34-33-28(12-13-40-34)51-30(44-33)18-45-17-21(46)14-27(45)36(48)49;1-49-35-20(16-39-17-22-9-11-29(46)41-22)8-10-26(43-35)25-6-2-4-23(31(25)37)24-5-3-7-27(32(24)38)42-34-33-28(12-14-40-34)50-30(44-33)19-45-15-13-21(18-45)36(47)48;1-48-36-21(18-39-19-22-9-11-30(47)41-22)8-10-27(43-36)26-6-2-4-24(32(26)37)25-5-3-7-28(33(25)38)42-35-34-29(12-15-40-35)49-31(44-34)20-45-16-13-23(46)14-17-45/h3-9,11,13,16,22,24,42H,10,12,14-15,17-21H2,1-2H3,(H,41,50)(H,43,45)(H,44,49);2-8,10,12,15,21,23,35,42H,9,11,13-14,16-20H2,1H3,(H,43,45)(H,44,49);2-8,10,12-13,22,40H,9,11,14-20H2,1H3,(H2,39,49)(H,41,43)(H,42,48);2-8,10,12-13,20-21,27,39,46H,9,11,14-18H2,1H3,(H,40,42)(H,41,47)(H,48,49);2-8,10,12,14,21-22,39H,9,11,13,15-19H2,1H3,(H,40,42)(H,41,46)(H,47,48);2-8,10,12,15,22-23,39,46H,9,11,13-14,16-20H2,1H3,(H,40,42)(H,41,47)/t24-;23-;22-;20-,21-,27-;21-,22-;22-/m000000/s1.
What are the key properties of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid?
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 4459.31 g/mol, XLogP of 40.60, 70 rotatable bonds, 24 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[[4-(difluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;(2S,4S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]-N-methylpiperidine-4-carboxamide;4-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperazine-1-carboxamide;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 163951559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).