4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol

C163H125F27N48O2 — CID 172960530

IUPAC4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
SMILESCCc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1ccc2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)nc(C)c2c1.Cc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)c1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc1-c1ccccn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)cn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)nc1
InChIInChI=1S/2C24H19F4N7O.C24H19F4N7.2C23H17F4N7.C23H19F3N6.C22H15F4N7/c25-20-14-31-23(34-22(20)21-7-4-15(8-9-36)11-30-21)35-32-13-18-5-6-19(12-29-18)33-17-3-1-2-16(10-17)24(26,27)28;25-21-14-31-23(34-22(21)15-4-5-17(8-9-36)29-11-15)35-32-13-19-6-7-20(12-30-19)33-18-3-1-2-16(10-18)24(26,27)28;1-2-16-6-4-8-21(33-16)22-20(25)14-30-23(34-22)35-31-13-18-9-10-19(12-29-18)32-17-7-3-5-15(11-17)24(26,27)28;1-14-4-2-7-20(31-14)21-19(24)13-29-22(33-21)34-30-12-17-8-9-18(11-28-17)32-16-6-3-5-15(10-16)23(25,26)27;1-14-7-15(10-28-9-14)21-20(24)13-30-22(33-21)34-31-12-18-5-6-19(11-29-18)32-17-4-2-3-16(8-17)23(25,26)27;1-14-6-9-21-20(10-14)15(2)29-22(31-21)32-28-13-18-7-8-19(12-27-18)30-17-5-3-4-16(11-17)23(24,25)26;23-18-13-29-21(32-20(18)19-6-1-2-9-27-19)33-30-12-16-7-8-17(11-28-16)31-15-5-3-4-14(10-15)22(24,25)26/h2*1-7,10-14,33,36H,8-9H2,(H,31,34,35);3-14,32H,2H2,1H3,(H,30,34,35);2-13,32H,1H3,(H,29,33,34);2-13,32H,1H3,(H,30,33,34);3-13,30H,1-2H3,(H,29,31,32);1-13,31H,(H,29,32,33)/b2*32-13+;31-13+;30-12+;31-12+;28-13+;30-12+
InChIKeyPURWJPVEBTWWBQ-WCCAMMNGSA-N
MW3301.07 g/mol
LogP37.79
Rot. Bonds46

About 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol

4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol (PubChem CID 172960530) has the molecular formula C163H125F27N48O2 and a molecular weight of 3301.07 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
PubChem CID172960530
Molecular FormulaC163H125F27N48O2
Molecular Weight3301.07 g/mol
Exact Mass3299.07
IUPAC Name4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
SMILESCCc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1ccc2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)nc(C)c2c1.Cc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)c1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc1-c1ccccn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)cn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)nc1
InChIInChI=1S/2C24H19F4N7O.C24H19F4N7.2C23H17F4N7.C23H19F3N6.C22H15F4N7/c25-20-14-31-23(34-22(20)21-7-4-15(8-9-36)11-30-21)35-32-13-18-5-6-19(12-29-18)33-17-3-1-2-16(10-17)24(26,27)28;25-21-14-31-23(34-22(21)15-4-5-17(8-9-36)29-11-15)35-32-13-19-6-7-20(12-30-19)33-18-3-1-2-16(10-18)24(26,27)28;1-2-16-6-4-8-21(33-16)22-20(25)14-30-23(34-22)35-31-13-18-9-10-19(12-29-18)32-17-7-3-5-15(11-17)24(26,27)28;1-14-4-2-7-20(31-14)21-19(24)13-29-22(33-21)34-30-12-17-8-9-18(11-28-17)32-16-6-3-5-15(10-16)23(25,26)27;1-14-7-15(10-28-9-14)21-20(24)13-30-22(33-21)34-31-12-18-5-6-19(11-29-18)32-17-4-2-3-16(8-17)23(25,26)27;1-14-6-9-21-20(10-14)15(2)29-22(31-21)32-28-13-18-7-8-19(12-27-18)30-17-5-3-4-16(11-17)23(24,25)26;23-18-13-29-21(32-20(18)19-6-1-2-9-27-19)33-30-12-16-7-8-17(11-28-16)31-15-5-3-4-14(10-15)22(24,25)26/h2*1-7,10-14,33,36H,8-9H2,(H,31,34,35);3-14,32H,2H2,1H3,(H,30,34,35);2-13,32H,1H3,(H,29,33,34);2-13,32H,1H3,(H,30,33,34);3-13,30H,1-2H3,(H,29,31,32);1-13,31H,(H,29,32,33)/b2*32-13+;31-13+;30-12+;31-12+;28-13+;30-12+
InChIKeyPURWJPVEBTWWBQ-WCCAMMNGSA-N
XLogP37.79
TPSA643.43 Ų
H-Bond Donors16
H-Bond Acceptors50
Rotatable Bonds46
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003301.07
LogP ≤ 537.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
CID 172971964
4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876733
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 58877264
3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 172964021
4-(5-benzyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-ethyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-propan-2-yl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172984624
ethane;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 143431222
5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172938431
3-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]benzamide
CID 58877037
3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 172949313
4-methyl-6-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(triiodomethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172940649
4-methyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine
CID 143430854
4-(5-benzyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[5-(cyclopropylmethyl)-3-pyridinyl]-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-cyclopropyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-ethyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-propan-2-yl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172969990

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?
The IUPAC name of 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol (CID 172960530) is 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol.
What is the SMILES notation for 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?
The canonical SMILES for 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol is CCc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1ccc2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)nc(C)c2c1.Cc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)c1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc1-c1ccccn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)cn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)nc1.
What is the InChIKey of 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?
The InChIKey is PURWJPVEBTWWBQ-WCCAMMNGSA-N. The full InChI is InChI=1S/2C24H19F4N7O.C24H19F4N7.2C23H17F4N7.C23H19F3N6.C22H15F4N7/c25-20-14-31-23(34-22(20)21-7-4-15(8-9-36)11-30-21)35-32-13-18-5-6-19(12-29-18)33-17-3-1-2-16(10-17)24(26,27)28;25-21-14-31-23(34-22(21)15-4-5-17(8-9-36)29-11-15)35-32-13-19-6-7-20(12-30-19)33-18-3-1-2-16(10-18)24(26,27)28;1-2-16-6-4-8-21(33-16)22-20(25)14-30-23(34-22)35-31-13-18-9-10-19(12-29-18)32-17-7-3-5-15(11-17)24(26,27)28;1-14-4-2-7-20(31-14)21-19(24)13-29-22(33-21)34-30-12-17-8-9-18(11-28-17)32-16-6-3-5-15(10-16)23(25,26)27;1-14-7-15(10-28-9-14)21-20(24)13-30-22(33-21)34-31-12-18-5-6-19(11-29-18)32-17-4-2-3-16(8-17)23(25,26)27;1-14-6-9-21-20(10-14)15(2)29-22(31-21)32-28-13-18-7-8-19(12-27-18)30-17-5-3-4-16(11-17)23(24,25)26;23-18-13-29-21(32-20(18)19-6-1-2-9-27-19)33-30-12-16-7-8-17(11-28-16)31-15-5-3-4-14(10-15)22(24,25)26/h2*1-7,10-14,33,36H,8-9H2,(H,31,34,35);3-14,32H,2H2,1H3,(H,30,34,35);2-13,32H,1H3,(H,29,33,34);2-13,32H,1H3,(H,30,33,34);3-13,30H,1-2H3,(H,29,31,32);1-13,31H,(H,29,32,33)/b2*32-13+;31-13+;30-12+;31-12+;28-13+;30-12+.
What are the key properties of 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol has a molecular weight of 3301.07 g/mol, XLogP of 37.79, 46 rotatable bonds, 16 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 172960530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).