C120H115F2N17OS — CID 158770403
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole (PubChem CID 158770403) has the molecular formula C120H115F2N17OS and a molecular weight of 1881.42 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole.
| Compound Name | 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole |
|---|---|
| PubChem CID | 158770403 |
| Molecular Formula | C120H115F2N17OS |
| Molecular Weight | 1881.42 g/mol |
| Exact Mass | 1879.92 |
| IUPAC Name | 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole |
| SMILES | Cc1cc(-c2ncc(NC3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCCN4CCN(C)CC4)c3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCCN4CCOCC4)c3c2)c1 |
| InChI | InChI=1S/C27H31N5.C26H28N4O.C25H25FN4S.C21H15FN2.C21H16N2/c1-21-6-3-7-23(18-21)27-24(8-4-11-28-27)22-9-10-25-26(19-22)32(20-29-25)13-5-12-31-16-14-30(2)15-17-31;1-20-5-2-6-22(17-20)26-23(7-3-10-27-26)21-8-9-24-25(18-21)30(19-28-24)12-4-11-29-13-15-31-16-14-29;1-16-11-18(3-5-22(16)26)25-21(17-4-6-23-24(12-17)31-15-28-23)13-20(14-27-25)29-19-7-9-30(2)10-8-19;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17/h3-4,6-11,18-20H,5,12-17H2,1-2H3;2-3,5-10,17-19H,4,11-16H2,1H3;3-6,11-15,19,29H,7-10H2,1-2H3;2-13H,1H3;2-14H,1H3 |
| InChIKey | IPUGDZVCCGBNAH-UHFFFAOYSA-N |
| XLogP | 26.17 |
| TPSA | 172.98 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 141 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1881.42 |
| LogP ≤ 5 | 26.17 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 19 |