C240H230Cl7F13N86O12 — CID 172920143
N-[(E)-[5-(2-chloro-6-methyl-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-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-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172920143) has the molecular formula C240H230Cl7F13N86O12 and a molecular weight of 5006.22 g/mol. Its IUPAC name is N-[(E)-[5-(2-chloro-6-methyl-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-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-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
| Compound Name | N-[(E)-[5-(2-chloro-6-methyl-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-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-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine |
|---|---|
| PubChem CID | 172920143 |
| Molecular Formula | C240H230Cl7F13N86O12 |
| Molecular Weight | 5006.22 g/mol |
| Exact Mass | 4999.76 |
| IUPAC Name | N-[(E)-[5-(2-chloro-6-methyl-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-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-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine |
| SMILES | Cc1cc(-c2cccnc2)cc(Cl)c1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1cc(-c2cn[nH]c2)ccc1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1cc(N2CCOCC2)cc(Cl)c1Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cccnc4)cc3Cl)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)cc3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4cn[nH]c4)cc3Cl)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-n4cccn4)cc3Cl)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(N4CCOCC4)cc3Cl)cn2)nc1N1CCOCC1 |
| InChI | InChI=1S/C26H24ClFN8O.C25H28ClFN8O2.C25H22ClFN8O.C24H26ClFN8O2.C24H21F4N9O.C24H24FN9O.3C23H21ClFN9O.C23H22FN9O/c1-17-11-19(18-3-2-6-29-13-18)12-22(27)24(17)33-21-5-4-20(30-14-21)15-32-35-26-31-16-23(28)25(34-26)36-7-9-37-10-8-36;1-17-12-20(34-4-8-36-9-5-34)13-21(26)23(17)31-19-3-2-18(28-14-19)15-30-33-25-29-16-22(27)24(32-25)35-6-10-37-11-7-35;26-21-12-17(18-2-1-7-28-13-18)3-6-23(21)32-20-5-4-19(29-14-20)15-31-34-25-30-16-22(27)24(33-25)35-8-10-36-11-9-35;25-20-13-19(33-5-9-35-10-6-33)3-4-22(20)30-18-2-1-17(27-14-18)15-29-32-24-28-16-21(26)23(31-24)34-7-11-36-12-8-34;25-20-14-30-23(34-22(20)37-7-9-38-10-8-37)36-32-13-16-1-2-17(12-29-16)33-15-3-4-18(21-5-6-31-35-21)19(11-15)24(26,27)28;1-16-10-17(18-11-28-29-12-18)2-5-22(16)31-20-4-3-19(26-13-20)14-30-33-24-27-15-21(25)23(32-24)34-6-8-35-9-7-34;24-19-12-18(34-7-1-6-29-34)4-5-21(19)30-17-3-2-16(26-13-17)14-28-32-23-27-15-20(25)22(31-23)33-8-10-35-11-9-33;24-19-9-15(16-10-28-29-11-16)1-4-21(19)31-18-3-2-17(26-12-18)13-30-33-23-27-14-20(25)22(32-23)34-5-7-35-8-6-34;24-20-9-16(3-4-19(20)15-10-28-29-11-15)31-18-2-1-17(26-12-18)13-30-33-23-27-14-21(25)22(32-23)34-5-7-35-8-6-34;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/h2-6,11-16,33H,7-10H2,1H3,(H,31,34,35);2-3,12-16,31H,4-11H2,1H3,(H,29,32,33);1-7,12-16,32H,8-11H2,(H,30,33,34);1-4,13-16,30H,5-12H2,(H,28,31,32);1-6,11-14,33H,7-10H2,(H,31,35)(H,30,34,36);2-5,10-15,31H,6-9H2,1H3,(H,28,29)(H,27,32,33);1-7,12-15,30H,8-11H2,(H,27,31,32);2*1-4,9-14,31H,5-8H2,(H,28,29)(H,27,32,33);1-8,13-15,29H,9-12H2,(H,27,31)(H,26,30,32)/b32-15+;30-15+;31-15+;29-15+;32-13+;30-14+;28-14+;2*30-13+;28-14+ |
| InChIKey | VNPQFTAABJPIGR-MOPABJORSA-N |
| XLogP | 40.82 |
| TPSA | 1087.54 Ų |
| H-Bond Donors | 25 |
| H-Bond Acceptors | 93 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 358 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5006.22 |
| LogP ≤ 5 | 40.82 |
| H-Bond Donors ≤ 5 | 25 |
| H-Bond Acceptors ≤ 10 | 93 |