5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)

C195H202F14N72O11 — CID 172917990

IUPAC5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)
SMILESCC1CCN(c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1.CC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CCNN1c1cccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cn(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1
InChIInChI=1S/C26H19F4N9.C25H23F4N9O.C24H24FN9O2.3C24H28FN9O2.C24H24FN9O.C24H28FN9O/c1-16-14-39(15-34-16)22-8-18(26(28,29)30)7-21(9-22)36-20-5-4-19(32-11-20)12-35-38-25-33-13-23(27)24(37-25)17-3-2-6-31-10-17;1-16-14-38(15-32-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-11-19)12-33-36-24-31-13-22(26)23(35-24)37-4-6-39-7-5-37;1-16-14-34(15-28-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-11-18)12-29-32-24-27-13-22(25)23(31-24)33-4-6-36-7-5-33;1-16-4-5-34(32-16)20-10-19(11-21(35)12-20)29-18-3-2-17(26-13-18)14-28-31-24-27-15-22(25)23(30-24)33-6-8-36-9-7-33;2*1-16-4-5-29-34(16)20-10-19(11-21(35)12-20)30-18-3-2-17(26-13-18)14-28-32-24-27-15-22(25)23(31-24)33-6-8-36-9-7-33;1-17-15-34(16-28-17)21-4-2-3-18(11-21)30-20-6-5-19(26-12-20)13-29-32-24-27-14-22(25)23(31-24)33-7-9-35-10-8-33;1-17-7-8-29-34(17)21-4-2-3-18(13-21)30-20-6-5-19(26-14-20)15-28-32-24-27-16-22(25)23(31-24)33-9-11-35-12-10-33/h2-15,36H,1H3,(H,33,37,38);2-3,8-15,34H,4-7H2,1H3,(H,31,35,36);2-3,8-15,30,35H,4-7H2,1H3,(H,27,31,32);2-3,10-16,29,32,35H,4-9H2,1H3,(H,27,30,31);2*2-3,10-16,29-30,35H,4-9H2,1H3,(H,27,31,32);2-6,11-16,30H,7-10H2,1H3,(H,27,31,32);2-6,13-17,29-30H,7-12H2,1H3,(H,27,31,32)/b35-12+;33-12+;29-12+;3*28-14+;29-13+;28-15+
InChIKeyYSDSMTSJDZGEMV-XFQCGHCVSA-N
MW3996.23 g/mol
LogP28.77
Rot. Bonds56

About 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)

5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol) (PubChem CID 172917990) has the molecular formula C195H202F14N72O11 and a molecular weight of 3996.23 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol).

Molecular Properties

Compound Name5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)
PubChem CID172917990
Molecular FormulaC195H202F14N72O11
Molecular Weight3996.23 g/mol
Exact Mass3993.72
IUPAC Name5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)
SMILESCC1CCN(c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1.CC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CCNN1c1cccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cn(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1
InChIInChI=1S/C26H19F4N9.C25H23F4N9O.C24H24FN9O2.3C24H28FN9O2.C24H24FN9O.C24H28FN9O/c1-16-14-39(15-34-16)22-8-18(26(28,29)30)7-21(9-22)36-20-5-4-19(32-11-20)12-35-38-25-33-13-23(27)24(37-25)17-3-2-6-31-10-17;1-16-14-38(15-32-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-11-19)12-33-36-24-31-13-22(26)23(35-24)37-4-6-39-7-5-37;1-16-14-34(15-28-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-11-18)12-29-32-24-27-13-22(25)23(31-24)33-4-6-36-7-5-33;1-16-4-5-34(32-16)20-10-19(11-21(35)12-20)29-18-3-2-17(26-13-18)14-28-31-24-27-15-22(25)23(30-24)33-6-8-36-9-7-33;2*1-16-4-5-29-34(16)20-10-19(11-21(35)12-20)30-18-3-2-17(26-13-18)14-28-32-24-27-15-22(25)23(31-24)33-6-8-36-9-7-33;1-17-15-34(16-28-17)21-4-2-3-18(11-21)30-20-6-5-19(26-12-20)13-29-32-24-27-14-22(25)23(31-24)33-7-9-35-10-8-33;1-17-7-8-29-34(17)21-4-2-3-18(13-21)30-20-6-5-19(26-14-20)15-28-32-24-27-16-22(25)23(31-24)33-9-11-35-12-10-33/h2-15,36H,1H3,(H,33,37,38);2-3,8-15,34H,4-7H2,1H3,(H,31,35,36);2-3,8-15,30,35H,4-7H2,1H3,(H,27,31,32);2-3,10-16,29,32,35H,4-9H2,1H3,(H,27,30,31);2*2-3,10-16,29-30,35H,4-9H2,1H3,(H,27,31,32);2-6,11-16,30H,7-10H2,1H3,(H,27,31,32);2-6,13-17,29-30H,7-12H2,1H3,(H,27,31,32)/b35-12+;33-12+;29-12+;3*28-14+;29-13+;28-15+
InChIKeyYSDSMTSJDZGEMV-XFQCGHCVSA-N
XLogP28.77
TPSA914.18 Ų
H-Bond Donors24
H-Bond Acceptors83
Rotatable Bonds56
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003996.23
LogP ≤ 528.77
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1083

Analyze 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)?
The IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol) (CID 172917990) is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol).
What is the SMILES notation for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)?
The canonical SMILES for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol) is CC1CCN(c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1.CC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CCNN1c1cccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cn(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.
What is the InChIKey of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)?
The InChIKey is YSDSMTSJDZGEMV-XFQCGHCVSA-N. The full InChI is InChI=1S/C26H19F4N9.C25H23F4N9O.C24H24FN9O2.3C24H28FN9O2.C24H24FN9O.C24H28FN9O/c1-16-14-39(15-34-16)22-8-18(26(28,29)30)7-21(9-22)36-20-5-4-19(32-11-20)12-35-38-25-33-13-23(27)24(37-25)17-3-2-6-31-10-17;1-16-14-38(15-32-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-11-19)12-33-36-24-31-13-22(26)23(35-24)37-4-6-39-7-5-37;1-16-14-34(15-28-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-11-18)12-29-32-24-27-13-22(25)23(31-24)33-4-6-36-7-5-33;1-16-4-5-34(32-16)20-10-19(11-21(35)12-20)29-18-3-2-17(26-13-18)14-28-31-24-27-15-22(25)23(30-24)33-6-8-36-9-7-33;2*1-16-4-5-29-34(16)20-10-19(11-21(35)12-20)30-18-3-2-17(26-13-18)14-28-32-24-27-15-22(25)23(31-24)33-6-8-36-9-7-33;1-17-15-34(16-28-17)21-4-2-3-18(11-21)30-20-6-5-19(26-12-20)13-29-32-24-27-14-22(25)23(31-24)33-7-9-35-10-8-33;1-17-7-8-29-34(17)21-4-2-3-18(13-21)30-20-6-5-19(26-14-20)15-28-32-24-27-16-22(25)23(31-24)33-9-11-35-12-10-33/h2-15,36H,1H3,(H,33,37,38);2-3,8-15,34H,4-7H2,1H3,(H,31,35,36);2-3,8-15,30,35H,4-7H2,1H3,(H,27,31,32);2-3,10-16,29,32,35H,4-9H2,1H3,(H,27,30,31);2*2-3,10-16,29-30,35H,4-9H2,1H3,(H,27,31,32);2-6,11-16,30H,7-10H2,1H3,(H,27,31,32);2-6,13-17,29-30H,7-12H2,1H3,(H,27,31,32)/b35-12+;33-12+;29-12+;3*28-14+;29-13+;28-15+.
What are the key properties of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol)?
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol) has a molecular weight of 3996.23 g/mol, XLogP of 28.77, 56 rotatable bonds, 24 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol;bis(3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol) is sourced from PubChem (CID 172917990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).