C108H108N26O13 — CID 163880659
N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 163880659) has the molecular formula C108H108N26O13 and a molecular weight of 1978.22 g/mol. Its IUPAC name is N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide.
| Compound Name | N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide |
|---|---|
| PubChem CID | 163880659 |
| Molecular Formula | C108H108N26O13 |
| Molecular Weight | 1978.22 g/mol |
| Exact Mass | 1976.86 |
| IUPAC Name | N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]octan-2-one;N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide |
| SMILES | CONC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.O=C(CO)CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.O=C(NO)c1ccc(NC(=O)c2cccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)c2)cc1.O=C(NO)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1 |
| InChI | InChI=1S/C31H35N7O3.C30H27N7O4.C24H24N6O3.C23H22N6O3/c39-22-27(40)5-3-1-2-4-13-38-29-19-23(6-7-24(29)20-33-38)28-21-37-14-12-32-31(37)30(35-28)34-25-8-10-26(11-9-25)36-15-17-41-18-16-36;38-29(33-24-6-4-20(5-7-24)30(39)35-40)22-3-1-2-21(18-22)26-19-37-13-12-31-28(37)27(34-26)32-23-8-10-25(11-9-23)36-14-16-41-17-15-36;1-32-28-24(31)18-4-2-3-17(15-18)21-16-30-10-9-25-23(30)22(27-21)26-19-5-7-20(8-6-19)29-11-13-33-14-12-29;30-23(27-31)17-3-1-2-16(14-17)20-15-29-9-8-24-22(29)21(26-20)25-18-4-6-19(7-5-18)28-10-12-32-13-11-28/h6-12,14,19-21,39H,1-5,13,15-18,22H2,(H,34,35);1-13,18-19,40H,14-17H2,(H,32,34)(H,33,38)(H,35,39);2-10,15-16H,11-14H2,1H3,(H,26,27)(H,28,31);1-9,14-15,31H,10-13H2,(H,25,26)(H,27,30) |
| InChIKey | PSXLPRASGLXGGK-UHFFFAOYSA-N |
| XLogP | 15.55 |
| TPSA | 439.97 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1978.22 |
| LogP ≤ 5 | 15.55 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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