N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one

C138H133F13N30O9S — CID 158006378

About N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one

N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one (PubChem CID 158006378) has the molecular formula C138H133F13N30O9S and a molecular weight of 2634.82 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one
• PubChem CID: 158006378
• Molecular Formula: C138H133F13N30O9S
• Molecular Weight: 2634.82 g/mol
• Exact Mass: 2633.04
• IUPAC Name: N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one
• SMILES: C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(NC(C)=O)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C#N)cc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(CC(C)=O)nc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C(=O)N(C)C)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(S(N)(=O)=O)c2)C3)CC1
• InChI: InChI=1S/C29H29F3N6O2.C28H27F3N6O2.C28H29FN6O.C27H23F3N6O.C26H25F3N6O3S/c1-19(35-23-7-9-24(10-8-23)40-29(30,31)32)37-11-13-38(14-12-37)27-25-16-22(17-26(25)33-18-34-27)20-5-4-6-21(15-20)28(39)36(2)3;1-18(38)13-23-4-3-20(16-32-23)21-14-25-26(15-21)33-17-34-27(25)37-11-9-36(10-12-37)19(2)35-22-5-7-24(8-6-22)39-28(29,30)31;1-19(30-17-21-6-8-24(29)9-7-21)34-10-12-35(13-11-34)28-26-15-23(16-27(26)31-18-32-28)22-4-3-5-25(14-22)33-20(2)36;1-18(34-22-6-8-23(9-7-22)37-27(28,29)30)35-10-12-36(13-11-35)26-24-14-21(15-25(24)32-17-33-26)20-4-2-19(16-31)3-5-20;1-17(33-20-5-7-21(8-6-20)38-26(27,28)29)34-9-11-35(12-10-34)25-23-14-19(15-24(23)31-16-32-25)18-3-2-4-22(13-18)39(30,36)37/h4-10,15-16,18,35H,1,11-14,17H2,2-3H3;3-8,14,16-17,35H,2,9-13,15H2,1H3;3-9,14-15,18,30H,1,10-13,16-17H2,2H3,(H,33,36);2-9,14,17,34H,1,10-13,15H2;2-8,13-14,16,33H,1,9-12,15H2,(H2,30,36,37)
• InChIKey: FEIMBFNTJVXGCT-UHFFFAOYSA-N
• XLogP: 22.51
• TPSA: 421.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.82
LogP ≤ 5	22.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one?

The IUPAC name of N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one (CID 158006378) is N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one.

What is the SMILES notation for N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one?

The canonical SMILES for N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one is C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(NC(C)=O)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C#N)cc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(CC(C)=O)nc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C(=O)N(C)C)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(S(N)(=O)=O)c2)C3)CC1.

What is the InChIKey of N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one?

The InChIKey is FEIMBFNTJVXGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O2.C28H27F3N6O2.C28H29FN6O.C27H23F3N6O.C26H25F3N6O3S/c1-19(35-23-7-9-24(10-8-23)40-29(30,31)32)37-11-13-38(14-12-37)27-25-16-22(17-26(25)33-18-34-27)20-5-4-6-21(15-20)28(39)36(2)3;1-18(38)13-23-4-3-20(16-32-23)21-14-25-26(15-21)33-17-34-27(25)37-11-9-36(10-12-37)19(2)35-22-5-7-24(8-6-22)39-28(29,30)31;1-19(30-17-21-6-8-24(29)9-7-21)34-10-12-35(13-11-34)28-26-15-23(16-27(26)31-18-32-28)22-4-3-5-25(14-22)33-20(2)36;1-18(34-22-6-8-23(9-7-22)37-27(28,29)30)35-10-12-36(13-11-35)26-24-14-21(15-25(24)32-17-33-26)20-4-2-19(16-31)3-5-20;1-17(33-20-5-7-21(8-6-20)38-26(27,28)29)34-9-11-35(12-10-34)25-23-14-19(15-24(23)31-16-32-25)18-3-2-4-22(13-18)39(30,36)37/h4-10,15-16,18,35H,1,11-14,17H2,2-3H3;3-8,14,16-17,35H,2,9-13,15H2,1H3;3-9,14-15,18,30H,1,10-13,16-17H2,2H3,(H,33,36);2-9,14,17,34H,1,10-13,15H2;2-8,13-14,16,33H,1,9-12,15H2,(H2,30,36,37).

What are the key properties of N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one?

N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one has a molecular weight of 2634.82 g/mol, XLogP of 22.51, 35 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 158006378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).