C244H225Cl5F13N85O11 — CID 172941678
N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyridin-3-ylphenol (PubChem CID 172941678) has the molecular formula C244H225Cl5F13N85O11 and a molecular weight of 4948.31 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyridin-3-ylphenol.
| Compound Name | N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyridin-3-ylphenol |
|---|---|
| PubChem CID | 172941678 |
| Molecular Formula | C244H225Cl5F13N85O11 |
| Molecular Weight | 4948.31 g/mol |
| Exact Mass | 4942.79 |
| IUPAC Name | N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyridin-3-ylphenol |
| SMILES | CC1=CC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)=NC1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccn[nH]2)c1.Cc1cn[nH]c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4cccnc4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccnnc4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)cc3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccnc4)c3)cn2)nc1N1CCOCC1.Oc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cccnc2)c1 |
| InChI | InChI=1S/C26H22F4N8O.C25H24ClFN8O.C25H22ClFN8O.C25H23FN8O2.C25H23FN8O.C24H23ClFN9O.C24H21ClFN9O.C24H24FN9O.C23H21ClFN9O.C23H22FN9O/c27-23-16-33-25(36-24(23)38-6-8-39-9-7-38)37-34-15-20-3-4-21(14-32-20)35-22-11-18(17-2-1-5-31-13-17)10-19(12-22)26(28,29)30;1-16-10-23(29-12-16)20-5-4-17(11-21(20)26)32-19-3-2-18(28-13-19)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-19-10-18(17-2-1-5-28-13-17)11-22(12-19)32-21-4-3-20(29-14-21)15-31-34-25-30-16-23(27)24(33-25)35-6-8-36-9-7-35;26-23-16-29-25(32-24(23)34-6-8-36-9-7-34)33-30-15-19-3-4-20(14-28-19)31-21-10-18(11-22(35)12-21)17-2-1-5-27-13-17;26-23-17-29-25(32-24(23)34-9-11-35-12-10-34)33-30-16-21-6-7-22(15-28-21)31-20-5-1-3-18(13-20)19-4-2-8-27-14-19;1-15-11-29-33-22(15)19-5-4-16(10-20(19)25)31-18-3-2-17(27-12-18)13-30-34-24-28-14-21(26)23(32-24)35-6-8-36-9-7-35;25-18-9-17(16-3-4-29-30-12-16)10-21(11-18)32-20-2-1-19(27-13-20)14-31-34-24-28-15-22(26)23(33-24)35-5-7-36-8-6-35;1-16-10-17(22-4-5-28-32-22)12-20(11-16)30-19-3-2-18(26-13-19)14-29-33-24-27-15-21(25)23(31-24)34-6-8-35-9-7-34;24-19-11-15(3-4-18(19)21-5-6-28-32-21)30-17-2-1-16(26-12-17)13-29-33-23-27-14-20(25)22(31-23)34-7-9-35-10-8-34;24-20-15-26-23(30-22(20)33-9-11-34-12-10-33)32-28-14-18-5-6-19(13-25-18)29-17-3-1-16(2-4-17)21-7-8-27-31-21/h1-5,10-16,35H,6-9H2,(H,33,36,37);2-5,10-11,13-15,32H,6-9,12H2,1H3,(H,30,33,34);1-5,10-16,32H,6-9H2,(H,30,33,34);1-5,10-16,31,35H,6-9H2,(H,29,32,33);1-8,13-17,31H,9-12H2,(H,29,32,33);2-5,10-14,31H,6-9H2,1H3,(H,29,33)(H,28,32,34);1-4,9-15,32H,5-8H2,(H,28,33,34);2-5,10-15,30H,6-9H2,1H3,(H,28,32)(H,27,31,33);1-6,11-14,30H,7-10H2,(H,28,32)(H,27,31,33);1-8,13-15,29H,9-12H2,(H,27,31)(H,26,30,32)/b34-15+;31-14+;31-15+;30-15+;30-16+;30-13+;31-14+;29-14+;29-13+;28-14+ |
| InChIKey | RIZVZFODSPBPOU-CCFQGQEPSA-N |
| XLogP | 41.99 |
| TPSA | 1100.25 Ų |
| H-Bond Donors | 25 |
| H-Bond Acceptors | 92 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 358 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4948.31 |
| LogP ≤ 5 | 41.99 |
| H-Bond Donors ≤ 5 | 25 |
| H-Bond Acceptors ≤ 10 | 92 |