C132H125N25O10S2 — CID 159117081
4-[4-(6-acetamido-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 159117081) has the molecular formula C132H125N25O10S2 and a molecular weight of 2285.75 g/mol. Its IUPAC name is 4-[4-(6-acetamido-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide.
| Compound Name | 4-[4-(6-acetamido-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide |
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| PubChem CID | 159117081 |
| Molecular Formula | C132H125N25O10S2 |
| Molecular Weight | 2285.75 g/mol |
| Exact Mass | 2283.95 |
| IUPAC Name | 4-[4-(6-acetamido-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide |
| SMILES | CC(=O)Nc1ccc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cn1.COCCNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5csc(C)n5)cn4)CCOCC3)cc2)cn1.Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccccc5)cn4)CCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1 |
| InChI | InChI=1S/C29H24N4O2.C28H30N6O3S.C28H27N5O3S.C26H23N5O.C21H21N5O/c34-28(33-26-12-11-25(19-31-26)35-24-5-2-1-3-6-24)29(14-4-15-29)23-9-7-20(8-10-23)22-17-21-13-16-30-27(21)32-18-22;1-19-33-24(18-38-19)21-5-8-25(30-15-21)34-26(35)28(9-12-37-13-10-28)23-6-3-20(4-7-23)22-16-31-27(32-17-22)29-11-14-36-2;1-18(34)31-25-9-5-21(15-29-25)20-3-7-23(8-4-20)28(11-13-36-14-12-28)27(35)33-26-10-6-22(16-30-26)24-17-37-19(2)32-24;27-25-29-16-21(17-30-25)19-7-10-22(11-8-19)26(13-4-14-26)24(32)31-23-12-9-20(15-28-23)18-5-2-1-3-6-18;1-14-3-8-18(23-11-14)26-19(27)21(9-2-10-21)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16/h1-3,5-13,16-19H,4,14-15H2,(H,30,32)(H,31,33,34);3-8,15-18H,9-14H2,1-2H3,(H,29,31,32)(H,30,34,35);3-10,15-17H,11-14H2,1-2H3,(H,29,31,34)(H,30,33,35);1-3,5-12,15-17H,4,13-14H2,(H2,27,29,30)(H,28,31,32);3-8,11-13H,2,9-10H2,1H3,(H2,22,24,25)(H,23,26,27) |
| InChIKey | KFFKWOXTYYXSLL-UHFFFAOYSA-N |
| XLogP | 24.75 |
| TPSA | 484.73 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2285.75 |
| LogP ≤ 5 | 24.75 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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