C122H137Cl6N27O26 — CID 161355299
3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoic acid;2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetic acid;5-chloro-6-(4-morpholin-4-ylphenyl)pyridine-2,3-diamine;3-ethoxy-3-oxopropanoic acid;ethyl 3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoate;ethyl 2-[[3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoyl]amino]acetate;ethyl 2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetate (PubChem CID 161355299) has the molecular formula C122H137Cl6N27O26 and a molecular weight of 2610.32 g/mol. Its IUPAC name is 3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoic acid;2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetic acid;5-chloro-6-(4-morpholin-4-ylphenyl)pyridine-2,3-diamine;3-ethoxy-3-oxopropanoic acid;ethyl 3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoate;ethyl 2-[[3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoyl]amino]acetate;ethyl 2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetate.
| Compound Name | 3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoic acid;2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetic acid;5-chloro-6-(4-morpholin-4-ylphenyl)pyridine-2,3-diamine;3-ethoxy-3-oxopropanoic acid;ethyl 3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoate;ethyl 2-[[3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoyl]amino]acetate;ethyl 2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetate |
|---|---|
| PubChem CID | 161355299 |
| Molecular Formula | C122H137Cl6N27O26 |
| Molecular Weight | 2610.32 g/mol |
| Exact Mass | 2605.84 |
| IUPAC Name | 3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoic acid;2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetic acid;5-chloro-6-(4-morpholin-4-ylphenyl)pyridine-2,3-diamine;3-ethoxy-3-oxopropanoic acid;ethyl 3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoate;ethyl 2-[[3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoyl]amino]acetate;ethyl 2-[[2-[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]acetyl]amino]acetate |
| SMILES | CCOC(=O)CC(=O)Nc1cc(Cl)c(-c2ccc(N3CCOCC3)cc2)nc1N.CCOC(=O)CC(=O)O.CCOC(=O)CNC(=O)CC(=O)Nc1cc(Cl)c(-c2ccc(N3CCOCC3)cc2)nc1N.CCOC(=O)CNC(=O)Cc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1.Nc1cc(Cl)c(-c2ccc(N3CCOCC3)cc2)nc1N.Nc1nc(-c2ccc(N3CCOCC3)cc2)c(Cl)cc1NC(=O)CC(=O)O.O=C(O)CNC(=O)Cc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1 |
| InChI | InChI=1S/C22H26ClN5O5.C22H24ClN5O4.C20H20ClN5O4.C20H23ClN4O4.C18H19ClN4O4.C15H17ClN4O.C5H8O4/c1-2-33-20(31)13-25-18(29)12-19(30)26-17-11-16(23)21(27-22(17)24)14-3-5-15(6-4-14)28-7-9-32-10-8-28;1-2-32-20(30)13-24-19(29)12-18-25-17-11-16(23)21(27-22(17)26-18)14-3-5-15(6-4-14)28-7-9-31-10-8-28;21-14-9-15-20(24-16(23-15)10-17(27)22-11-18(28)29)25-19(14)12-1-3-13(4-2-12)26-5-7-30-8-6-26;1-2-29-18(27)12-17(26)23-16-11-15(21)19(24-20(16)22)13-3-5-14(6-4-13)25-7-9-28-10-8-25;19-13-9-14(21-15(24)10-16(25)26)18(20)22-17(13)11-1-3-12(4-2-11)23-5-7-27-8-6-23;16-12-9-13(17)15(18)19-14(12)10-1-3-11(4-2-10)20-5-7-21-8-6-20;1-2-9-5(8)3-4(6)7/h3-6,11H,2,7-10,12-13H2,1H3,(H2,24,27)(H,25,29)(H,26,30);3-6,11H,2,7-10,12-13H2,1H3,(H,24,29)(H,25,26,27);1-4,9H,5-8,10-11H2,(H,22,27)(H,28,29)(H,23,24,25);3-6,11H,2,7-10,12H2,1H3,(H2,22,24)(H,23,26);1-4,9H,5-8,10H2,(H2,20,22)(H,21,24)(H,25,26);1-4,9H,5-8,17H2,(H2,18,19);2-3H2,1H3,(H,6,7) |
| InChIKey | VOLPGZMYXCVSHN-UHFFFAOYSA-N |
| XLogP | 13.40 |
| TPSA | 731.32 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2610.32 |
| LogP ≤ 5 | 13.40 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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