3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol

C127H117Cl2F8N37O8S2 — CID 172944349

About 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol

3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol (PubChem CID 172944349) has the molecular formula C127H117Cl2F8N37O8S2 and a molecular weight of 2576.61 g/mol. Its IUPAC name is 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol.

Molecular Properties

• Compound Name: 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol
• PubChem CID: 172944349
• Molecular Formula: C127H117Cl2F8N37O8S2
• Molecular Weight: 2576.61 g/mol
• Exact Mass: 2573.86
• IUPAC Name: 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol
• SMILES: Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccsc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1cccs1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccco4)c(Cl)c3)cn2)nc1N1CCOCC1.Oc1cccc(Nc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Nc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C27H24F4N8O2.C26H24ClFN8O2.2C25H24FN7OS.C24H21ClFN7O2/c28-24-16-33-26(37-25(24)39-6-8-41-9-7-39)38-34-15-19-4-5-20(14-32-19)36-22-11-17(27(29,30)31)10-21(12-22)35-18-2-1-3-23(40)13-18;27-17-10-21(32-18-2-1-3-23(37)13-18)12-22(11-17)33-20-5-4-19(29-14-20)15-31-35-26-30-16-24(28)25(34-26)36-6-8-38-9-7-36;1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;1-17-13-18(6-7-21(17)23-3-2-12-35-23)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-8-10-34-11-9-33;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33/h1-5,10-16,35-36,40H,6-9H2,(H,33,37,38);1-5,10-16,32-33,37H,6-9H2,(H,30,34,35);2-4,9-16,30H,5-8H2,1H3,(H,28,31,32);2-7,12-16,30H,8-11H2,1H3,(H,28,31,32);1-6,9,12-15,30H,7-8,10-11H2,(H,28,31,32)/b34-15+;31-15+;29-14+;29-15+;29-14+
• InChIKey: CTVYBJWODOJMLN-DFXITATQSA-N
• XLogP: 25.74
• TPSA: 515.46 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2576.61
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol?

The IUPAC name of 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol (CID 172944349) is 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol.

What is the SMILES notation for 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol?

The canonical SMILES for 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol is Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccsc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1cccs1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccco4)c(Cl)c3)cn2)nc1N1CCOCC1.Oc1cccc(Nc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Nc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)c1.

What is the InChIKey of 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol?

The InChIKey is CTVYBJWODOJMLN-DFXITATQSA-N. The full InChI is InChI=1S/C27H24F4N8O2.C26H24ClFN8O2.2C25H24FN7OS.C24H21ClFN7O2/c28-24-16-33-26(37-25(24)39-6-8-41-9-7-39)38-34-15-19-4-5-20(14-32-19)36-22-11-17(27(29,30)31)10-21(12-22)35-18-2-1-3-23(40)13-18;27-17-10-21(32-18-2-1-3-23(37)13-18)12-22(11-17)33-20-5-4-19(29-14-20)15-31-35-26-30-16-24(28)25(34-26)36-6-8-38-9-7-36;1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;1-17-13-18(6-7-21(17)23-3-2-12-35-23)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-8-10-34-11-9-33;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33/h1-5,10-16,35-36,40H,6-9H2,(H,33,37,38);1-5,10-16,32-33,37H,6-9H2,(H,30,34,35);2-4,9-16,30H,5-8H2,1H3,(H,28,31,32);2-7,12-16,30H,8-11H2,1H3,(H,28,31,32);1-6,9,12-15,30H,7-8,10-11H2,(H,28,31,32)/b34-15+;31-15+;29-14+;29-15+;29-14+.

What are the key properties of 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol?

3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol has a molecular weight of 2576.61 g/mol, XLogP of 25.74, 37 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)anilino]phenol is sourced from PubChem (CID 172944349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).