C117H142F4N32O8 — CID 157167002
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 157167002) has the molecular formula C117H142F4N32O8 and a molecular weight of 2200.63 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
| Compound Name | N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide |
|---|---|
| PubChem CID | 157167002 |
| Molecular Formula | C117H142F4N32O8 |
| Molecular Weight | 2200.63 g/mol |
| Exact Mass | 2199.16 |
| IUPAC Name | N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide |
| SMILES | C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3cc(F)c4nc(C)c(C(C)C)n4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)c(C(C)C)n4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)cn4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nn(C)c(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C |
| InChI | InChI=1S/C30H36F2N8O2.C30H37FN8O2.C30H38N8O2.C27H31FN8O2/c1-9-26(41)35-22-13-23(25(42-8)14-24(22)39(7)11-10-38(5)6)36-30-33-15-21(32)27(37-30)19-12-20(31)29-34-18(4)28(17(2)3)40(29)16-19;1-9-27(40)34-23-15-24(26(41-8)16-25(23)38(7)13-12-37(5)6)36-30-32-11-10-22(35-30)20-14-21(31)29-33-19(4)28(18(2)3)39(29)17-20;1-9-28(39)32-24-17-25(27(40-8)18-26(24)37(6)15-14-36(4)5)34-30-31-13-12-22(33-30)20-10-11-23-21(16-20)29(19(2)3)38(7)35-23;1-7-25(37)31-21-13-22(24(38-6)14-23(21)35(5)11-10-34(3)4)33-27-29-9-8-20(32-27)18-12-19(28)26-30-17(2)15-36(26)16-18/h9,12-17H,1,10-11H2,2-8H3,(H,35,41)(H,33,36,37);9-11,14-18H,1,12-13H2,2-8H3,(H,34,40)(H,32,35,36);9-13,16-19H,1,14-15H2,2-8H3,(H,32,39)(H,31,33,34);7-9,12-16H,1,10-11H2,2-6H3,(H,31,37)(H,29,32,33) |
| InChIKey | ANAMRWVLGKADMF-UHFFFAOYSA-N |
| XLogP | 19.75 |
| TPSA | 400.20 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2200.63 |
| LogP ≤ 5 | 19.75 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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