C149H154F2N38O7 — CID 161318645
4-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;6-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 161318645) has the molecular formula C149H154F2N38O7 and a molecular weight of 2627.13 g/mol. Its IUPAC name is 4-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;6-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide.
| Compound Name | 4-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;6-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide |
|---|---|
| PubChem CID | 161318645 |
| Molecular Formula | C149H154F2N38O7 |
| Molecular Weight | 2627.13 g/mol |
| Exact Mass | 2625.28 |
| IUPAC Name | 4-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;6-fluoro-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3-methyl-4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide |
| SMILES | CCCN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.COCCN1CCN(c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.Cc1cc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)ccc1N1CCCCC1.NC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c2cc(F)ccc12.NC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c2cccc(F)c12.NC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c2ccccc12 |
| InChI | InChI=1S/C26H29N7O2.C26H29N7O.C25H26N6O.2C24H23FN6O.C24H24N6O/c1-35-17-16-31-12-14-32(15-13-31)20-8-6-19(7-9-20)29-26-28-11-10-24(30-26)33-18-22(25(27)34)21-4-2-3-5-23(21)33;1-2-13-31-14-16-32(17-15-31)20-9-7-19(8-10-20)29-26-28-12-11-24(30-26)33-18-22(25(27)34)21-5-3-4-6-23(21)33;1-17-15-18(9-10-21(17)30-13-5-2-6-14-30)28-25-27-12-11-23(29-25)31-16-20(24(26)32)19-7-3-4-8-22(19)31;25-16-4-9-19-20(23(26)32)15-31(21(19)14-16)22-10-11-27-24(29-22)28-17-5-7-18(8-6-17)30-12-2-1-3-13-30;25-19-5-4-6-20-22(19)18(23(26)32)15-31(20)21-11-12-27-24(29-21)28-16-7-9-17(10-8-16)30-13-2-1-3-14-30;25-23(31)20-16-30(21-7-3-2-6-19(20)21)22-12-13-26-24(28-22)27-17-8-10-18(11-9-17)29-14-4-1-5-15-29/h2-11,18H,12-17H2,1H3,(H2,27,34)(H,28,29,30);3-12,18H,2,13-17H2,1H3,(H2,27,34)(H,28,29,30);3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H2,26,32)(H,27,28,29);4-11,14-15H,1-3,12-13H2,(H2,26,32)(H,27,28,29);4-12,15H,1-3,13-14H2,(H2,26,32)(H,27,28,29);2-3,6-13,16H,1,4-5,14-15H2,(H2,25,31)(H,26,27,28) |
| InChIKey | VJVNGPGSSFWCHV-UHFFFAOYSA-N |
| XLogP | 24.43 |
| TPSA | 550.13 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2627.13 |
| LogP ≤ 5 | 24.43 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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