5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine

C107H90F15N37O — CID 172944459

About 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine

5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine (PubChem CID 172944459) has the molecular formula C107H90F15N37O and a molecular weight of 2195.12 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
• PubChem CID: 172944459
• Molecular Formula: C107H90F15N37O
• Molecular Weight: 2195.12 g/mol
• Exact Mass: 2193.79
• IUPAC Name: 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
• SMILES: Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.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(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1
• InChI: InChI=1S/C27H28F4N10O.C27H21F4N9.C27H22F3N9.C26H19F4N9/c1-18-16-41(17-35-18)23-11-19(27(29,30)31)10-22(12-23)37-21-3-2-20(33-13-21)14-36-39-26-34-15-24(28)25(38-26)32-4-5-40-6-8-42-9-7-40;1-16-5-18(10-32-9-16)25-24(28)13-34-26(38-25)39-36-12-20-3-4-21(11-33-20)37-22-6-19(27(29,30)31)7-23(8-22)40-14-17(2)35-15-40;1-17-8-25(19-4-3-7-31-12-19)37-26(35-17)38-34-14-21-5-6-22(13-32-21)36-23-9-20(27(28,29)30)10-24(11-23)39-15-18(2)33-16-39;1-16-14-39(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/h2-3,10-17,37H,4-9H2,1H3,(H2,32,34,38,39);3-15,37H,1-2H3,(H,34,38,39);3-16,36H,1-2H3,(H,35,37,38);2-15,36H,1H3,(H,33,37,38)/b36-14+;36-12+;34-14+;35-12+
• InChIKey: GDVAGCRZPRCUBV-UVOKSFAESA-N
• XLogP: 22.26
• TPSA: 434.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.12
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

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 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?

The IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine (CID 172944459) is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine.

What is the SMILES notation for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?

The canonical SMILES for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine is Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4nc(C)cc(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.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(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1.

What is the InChIKey of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?

The InChIKey is GDVAGCRZPRCUBV-UVOKSFAESA-N. The full InChI is InChI=1S/C27H28F4N10O.C27H21F4N9.C27H22F3N9.C26H19F4N9/c1-18-16-41(17-35-18)23-11-19(27(29,30)31)10-22(12-23)37-21-3-2-20(33-13-21)14-36-39-26-34-15-24(28)25(38-26)32-4-5-40-6-8-42-9-7-40;1-16-5-18(10-32-9-16)25-24(28)13-34-26(38-25)39-36-12-20-3-4-21(11-33-20)37-22-6-19(27(29,30)31)7-23(8-22)40-14-17(2)35-15-40;1-17-8-25(19-4-3-7-31-12-19)37-26(35-17)38-34-14-21-5-6-22(13-32-21)36-23-9-20(27(28,29)30)10-24(11-23)39-15-18(2)33-16-39;1-16-14-39(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/h2-3,10-17,37H,4-9H2,1H3,(H2,32,34,38,39);3-15,37H,1-2H3,(H,34,38,39);3-16,36H,1-2H3,(H,35,37,38);2-15,36H,1H3,(H,33,37,38)/b36-14+;36-12+;34-14+;35-12+.

What are the key properties of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine?

5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 2195.12 g/mol, XLogP of 22.26, 31 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 172944459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).