2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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

C185H190Cl10N36O20S4 — CID 163811703

IUPAC2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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
SMILESCC(O)CN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(Nc5nccc6sc(CNCC(=O)O)nc56)c4Cl)c3Cl)n2C)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5c4N=C(CN4CCC(CC(=O)O)C4)C5)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(C(=O)O)CC6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(CC(=O)O)CC6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC[C@H](C(=O)O)C6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C39H41Cl2N7O4S.C39H41Cl2N7O4.C38H39Cl2N7O4S.C37H37Cl2N7O4S.C32H32Cl2N8O4S/c1-22-17-30(46-39(52-2)28(22)20-42-19-24-9-10-32(49)44-24)27-7-3-5-25(35(27)40)26-6-4-8-29(36(26)41)45-38-37-31(11-14-43-38)53-33(47-37)21-48-15-12-23(13-16-48)18-34(50)51;1-22-15-32(47-39(52-2)30(22)19-42-18-25-9-10-33(49)44-25)29-7-3-5-27(35(29)40)28-6-4-8-31(36(28)41)46-38-37-24(11-13-43-38)17-26(45-37)21-48-14-12-23(20-48)16-34(50)51;1-21-17-29(45-37(51-2)27(21)19-41-18-23-9-10-31(48)43-23)26-7-3-5-24(33(26)39)25-6-4-8-28(34(25)40)44-36-35-30(11-14-42-36)52-32(46-35)20-47-15-12-22(13-16-47)38(49)50;1-20-15-28(44-36(50-2)26(20)17-40-16-22-9-10-30(47)42-22)25-7-3-5-23(32(25)38)24-6-4-8-27(33(24)39)43-35-34-29(11-13-41-35)51-31(45-34)19-46-14-12-21(18-46)37(48)49;1-17(43)15-42-12-10-23-22(16-42)38-31(41(23)2)32(46)39-21-8-4-6-19(28(21)34)18-5-3-7-20(27(18)33)37-30-29-24(9-11-36-30)47-25(40-29)13-35-14-26(44)45/h3-8,11,14,17,23-24,42H,9-10,12-13,15-16,18-21H2,1-2H3,(H,43,45)(H,44,49)(H,50,51);3-8,11,13,15,23,25,42H,9-10,12,14,16-21H2,1-2H3,(H,43,46)(H,44,49)(H,50,51);3-8,11,14,17,22-23,41H,9-10,12-13,15-16,18-20H2,1-2H3,(H,42,44)(H,43,48)(H,49,50);3-8,11,13,15,21-22,40H,9-10,12,14,16-19H2,1-2H3,(H,41,43)(H,42,47)(H,48,49);3-9,11,17,35,43H,10,12-16H2,1-2H3,(H,36,37)(H,39,46)(H,44,45)/t24-;23?,25-;23-;21-,22-;/m0000./s1
InChIKeyNNVCIFBMBQXCIK-LPKHJXFZSA-N
MW3720.58 g/mol
LogP34.64
Rot. Bonds61

About 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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

2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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 (PubChem CID 163811703) has the molecular formula C185H190Cl10N36O20S4 and a molecular weight of 3720.58 g/mol. Its IUPAC name is 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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.

Molecular Properties

Compound Name2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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
PubChem CID163811703
Molecular FormulaC185H190Cl10N36O20S4
Molecular Weight3720.58 g/mol
Exact Mass3713.07
IUPAC Name2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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
SMILESCC(O)CN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(Nc5nccc6sc(CNCC(=O)O)nc56)c4Cl)c3Cl)n2C)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5c4N=C(CN4CCC(CC(=O)O)C4)C5)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(C(=O)O)CC6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(CC(=O)O)CC6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC[C@H](C(=O)O)C6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C39H41Cl2N7O4S.C39H41Cl2N7O4.C38H39Cl2N7O4S.C37H37Cl2N7O4S.C32H32Cl2N8O4S/c1-22-17-30(46-39(52-2)28(22)20-42-19-24-9-10-32(49)44-24)27-7-3-5-25(35(27)40)26-6-4-8-29(36(26)41)45-38-37-31(11-14-43-38)53-33(47-37)21-48-15-12-23(13-16-48)18-34(50)51;1-22-15-32(47-39(52-2)30(22)19-42-18-25-9-10-33(49)44-25)29-7-3-5-27(35(29)40)28-6-4-8-31(36(28)41)46-38-37-24(11-13-43-38)17-26(45-37)21-48-14-12-23(20-48)16-34(50)51;1-21-17-29(45-37(51-2)27(21)19-41-18-23-9-10-31(48)43-23)26-7-3-5-24(33(26)39)25-6-4-8-28(34(25)40)44-36-35-30(11-14-42-36)52-32(46-35)20-47-15-12-22(13-16-47)38(49)50;1-20-15-28(44-36(50-2)26(20)17-40-16-22-9-10-30(47)42-22)25-7-3-5-23(32(25)38)24-6-4-8-27(33(24)39)43-35-34-29(11-13-41-35)51-31(45-34)19-46-14-12-21(18-46)37(48)49;1-17(43)15-42-12-10-23-22(16-42)38-31(41(23)2)32(46)39-21-8-4-6-19(28(21)34)18-5-3-7-20(27(18)33)37-30-29-24(9-11-36-30)47-25(40-29)13-35-14-26(44)45/h3-8,11,14,17,23-24,42H,9-10,12-13,15-16,18-21H2,1-2H3,(H,43,45)(H,44,49)(H,50,51);3-8,11,13,15,23,25,42H,9-10,12,14,16-21H2,1-2H3,(H,43,46)(H,44,49)(H,50,51);3-8,11,14,17,22-23,41H,9-10,12-13,15-16,18-20H2,1-2H3,(H,42,44)(H,43,48)(H,49,50);3-8,11,13,15,21-22,40H,9-10,12,14,16-19H2,1-2H3,(H,41,43)(H,42,47)(H,48,49);3-9,11,17,35,43H,10,12-16H2,1-2H3,(H,36,37)(H,39,46)(H,44,45)/t24-;23?,25-;23-;21-,22-;/m0000./s1
InChIKeyNNVCIFBMBQXCIK-LPKHJXFZSA-N
XLogP34.64
TPSA723.40 Ų
H-Bond Donors21
H-Bond Acceptors50
Rotatable Bonds61
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003720.58
LogP ≤ 534.64
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1050

Analyze 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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 with MolForge

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Related Compounds

2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 162476700
(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
2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid
CID 162476717
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
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
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
4-[[4-[2-chloro-3-[2-chloro-3-[6-(fluoromethoxy)-4-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 167248701
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
4-[[2-[[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 170735383
2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-(difluoromethoxy)-5-[[[(2S)-5-(oxomethylidene)pyrrolidin-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 176545349
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
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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?
The IUPAC name of 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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 163811703) is 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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.
What is the SMILES notation for 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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?
The canonical SMILES for 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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 is CC(O)CN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(Nc5nccc6sc(CNCC(=O)O)nc56)c4Cl)c3Cl)n2C)C1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5c4N=C(CN4CCC(CC(=O)O)C4)C5)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(C(=O)O)CC6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CCC(CC(=O)O)CC6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(-c3cccc(Nc4nccc5sc(CN6CC[C@H](C(=O)O)C6)nc45)c3Cl)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.
What is the InChIKey of 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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?
The InChIKey is NNVCIFBMBQXCIK-LPKHJXFZSA-N. The full InChI is InChI=1S/C39H41Cl2N7O4S.C39H41Cl2N7O4.C38H39Cl2N7O4S.C37H37Cl2N7O4S.C32H32Cl2N8O4S/c1-22-17-30(46-39(52-2)28(22)20-42-19-24-9-10-32(49)44-24)27-7-3-5-25(35(27)40)26-6-4-8-29(36(26)41)45-38-37-31(11-14-43-38)53-33(47-37)21-48-15-12-23(13-16-48)18-34(50)51;1-22-15-32(47-39(52-2)30(22)19-42-18-25-9-10-33(49)44-25)29-7-3-5-27(35(29)40)28-6-4-8-31(36(28)41)46-38-37-24(11-13-43-38)17-26(45-37)21-48-14-12-23(20-48)16-34(50)51;1-21-17-29(45-37(51-2)27(21)19-41-18-23-9-10-31(48)43-23)26-7-3-5-24(33(26)39)25-6-4-8-28(34(25)40)44-36-35-30(11-14-42-36)52-32(46-35)20-47-15-12-22(13-16-47)38(49)50;1-20-15-28(44-36(50-2)26(20)17-40-16-22-9-10-30(47)42-22)25-7-3-5-23(32(25)38)24-6-4-8-27(33(24)39)43-35-34-29(11-13-41-35)51-31(45-34)19-46-14-12-21(18-46)37(48)49;1-17(43)15-42-12-10-23-22(16-42)38-31(41(23)2)32(46)39-21-8-4-6-19(28(21)34)18-5-3-7-20(27(18)33)37-30-29-24(9-11-36-30)47-25(40-29)13-35-14-26(44)45/h3-8,11,14,17,23-24,42H,9-10,12-13,15-16,18-21H2,1-2H3,(H,43,45)(H,44,49)(H,50,51);3-8,11,13,15,23,25,42H,9-10,12,14,16-21H2,1-2H3,(H,43,46)(H,44,49)(H,50,51);3-8,11,14,17,22-23,41H,9-10,12-13,15-16,18-20H2,1-2H3,(H,42,44)(H,43,48)(H,49,50);3-8,11,13,15,21-22,40H,9-10,12,14,16-19H2,1-2H3,(H,41,43)(H,42,47)(H,48,49);3-9,11,17,35,43H,10,12-16H2,1-2H3,(H,36,37)(H,39,46)(H,44,45)/t24-;23?,25-;23-;21-,22-;/m0000./s1.
What are the key properties of 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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?
2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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 has a molecular weight of 3720.58 g/mol, XLogP of 34.64, 61 rotatable bonds, 21 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-chloro-3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid;2-[1-[[7-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]pyrrolidin-3-yl]acetic acid;1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-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;2-[1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methyl]piperidin-4-yl]acetic acid;(3S)-1-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-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 is sourced from PubChem (CID 163811703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).