3-acetamido-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-4-carboxamide;(3R)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;(3S)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;2-(1-acetylpiperidin-4-yl)-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide;1-butyl-3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxyazetidine-1-carboxamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxypropanamide
C164H195Cl9N44O26S9 — CID 158711849
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-acetamido-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-4-carboxamide;(3R)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;(3S)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;2-(1-acetylpiperidin-4-yl)-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide;1-butyl-3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxyazetidine-1-carboxamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxypropanamide
3-acetamido-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-4-carboxamide;(3R)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;(3S)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;2-(1-acetylpiperidin-4-yl)-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide;1-butyl-3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxyazetidine-1-carboxamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxypropanamide (PubChem CID 158711849) has the molecular formula C164H195Cl9N44O26S9 and a molecular weight of 3806.33 g/mol. Its IUPAC name is 3-acetamido-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-4-carboxamide;(3R)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;(3S)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;2-(1-acetylpiperidin-4-yl)-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide;1-butyl-3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxyazetidine-1-carboxamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxypropanamide.
Molecular Properties
| Compound Name | 3-acetamido-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-4-carboxamide;(3R)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;(3S)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;2-(1-acetylpiperidin-4-yl)-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide;1-butyl-3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxyazetidine-1-carboxamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxypropanamide |
|---|---|
| PubChem CID | 158711849 |
| Molecular Formula | C164H195Cl9N44O26S9 |
| Molecular Weight | 3806.33 g/mol |
| Exact Mass | 3799.00 |
| IUPAC Name | 3-acetamido-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide;1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-4-carboxamide;(3R)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;(3S)-1-acetyl-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide;2-(1-acetylpiperidin-4-yl)-N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide;1-butyl-3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxyazetidine-1-carboxamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methoxypropanamide |
| SMILES | CCCCNC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.COCCC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.COc1cc(N2CCc3nc(NC(=O)C4CCN(C(C)=O)CC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)C4CN(C(C)=O)C4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)CC4CCN(C(C)=O)CC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)CCNC(C)=O)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CC(OC)C4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)[C@@H]4CCN(C(C)=O)C4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)[C@H]4CCN(C(C)=O)C4)sc3C2)cnc1Cl |
| InChI | InChI=1S/C21H26ClN5O3S.C20H24ClN5O3S.2C19H22ClN5O3S.C18H20ClN5O3S.2C17H20ClN5O3S.C17H22ClN5O2S.C16H19ClN4O3S/c1-13(28)26-6-3-14(4-7-26)9-19(29)25-21-24-16-5-8-27(12-18(16)31-21)15-10-17(30-2)20(22)23-11-15;1-12(27)25-6-3-13(4-7-25)19(28)24-20-23-15-5-8-26(11-17(15)30-20)14-9-16(29-2)18(21)22-10-14;2*1-11(26)24-5-3-12(9-24)18(27)23-19-22-14-4-6-25(10-16(14)29-19)13-7-15(28-2)17(20)21-8-13;1-10(25)24-7-11(8-24)17(26)22-18-21-13-3-4-23(9-15(13)28-18)12-5-14(27-2)16(19)20-6-12;1-25-11-7-23(8-11)17(24)21-16-20-12-3-4-22(9-14(12)27-16)10-5-13(26-2)15(18)19-6-10;1-10(24)19-5-3-15(25)22-17-21-12-4-6-23(9-14(12)27-17)11-7-13(26-2)16(18)20-8-11;1-3-4-6-19-16(24)22-17-21-12-5-7-23(10-14(12)26-17)11-8-13(25-2)15(18)20-9-11;1-23-6-4-14(22)20-16-19-11-3-5-21(9-13(11)25-16)10-7-12(24-2)15(17)18-8-10/h10-11,14H,3-9,12H2,1-2H3,(H,24,25,29);9-10,13H,3-8,11H2,1-2H3,(H,23,24,28);2*7-8,12H,3-6,9-10H2,1-2H3,(H,22,23,27);5-6,11H,3-4,7-9H2,1-2H3,(H,21,22,26);5-6,11H,3-4,7-9H2,1-2H3,(H,20,21,24);7-8H,3-6,9H2,1-2H3,(H,19,24)(H,21,22,25);8-9H,3-7,10H2,1-2H3,(H2,19,21,22,24);7-8H,3-6,9H2,1-2H3,(H,19,20,22)/t;;2*12-;;;;;/m..10...../s1 |
| InChIKey | IIUZTNVRSBTETC-OZXQYFQXSA-N |
| XLogP | 24.90 |
| TPSA | 770.53 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 62 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 252 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3806.33 |
| LogP ≤ 5 | 24.90 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 62 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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