C97H82F6N26O4 — CID 158844509
N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 158844509) has the molecular formula C97H82F6N26O4 and a molecular weight of 1789.89 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol.
| Compound Name | N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol |
|---|---|
| PubChem CID | 158844509 |
| Molecular Formula | C97H82F6N26O4 |
| Molecular Weight | 1789.89 g/mol |
| Exact Mass | 1788.69 |
| IUPAC Name | N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol |
| SMILES | CC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CC(O)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CN)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(CO)cc2)n1.OCc1nc2ccccn2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1 |
| InChI | InChI=1S/C20H16F3N5O.C20H17N5O.C19H14F3N5O.C19H18N6.C19H17N5O/c1-12(29)19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;1-13(26)15-7-9-16(10-8-15)23-19-11-21-12-20(24-19)25-14(2)22-17-5-3-4-6-18(17)25;20-19(21,22)12-4-6-13(7-5-12)24-16-10-23-9-14(25-16)18-15(11-28)26-17-3-1-2-8-27(17)18;1-13-22-16-4-2-3-5-17(16)25(13)19-12-21-11-18(24-19)23-15-8-6-14(10-20)7-9-15;1-13-21-16-4-2-3-5-17(16)24(13)19-11-20-10-18(23-19)22-15-8-6-14(12-25)7-9-15/h2-12,29H,1H3,(H,25,27);3-12H,1-2H3,(H,23,24);1-10,28H,11H2,(H,24,25);2-9,11-12H,10,20H2,1H3,(H,23,24);2-11,25H,12H2,1H3,(H,22,23) |
| InChIKey | IYQQNIPACCHRLO-UHFFFAOYSA-N |
| XLogP | 19.43 |
| TPSA | 381.41 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 133 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1789.89 |
| LogP ≤ 5 | 19.43 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 30 |