N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile

C138H133F15N32O6 — CID 161091703

About N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile

N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 161091703) has the molecular formula C138H133F15N32O6 and a molecular weight of 2620.77 g/mol. Its IUPAC name is N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
• PubChem CID: 161091703
• Molecular Formula: C138H133F15N32O6
• Molecular Weight: 2620.77 g/mol
• Exact Mass: 2619.08
• IUPAC Name: N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
• SMILES: C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C)nc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C4(C#N)CC4)cc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(N(C)C)nc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C(=O)NC)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cnc(C4CC4)nc2)C3)CC1
• InChI: InChI=1S/C30H27F3N6O.C28H27F3N6O2.C27H26F3N7O.C27H28F3N7O.C26H25F3N6O/c1-20(37-24-6-8-25(9-7-24)40-30(31,32)33)38-12-14-39(15-13-38)28-26-16-22(17-27(26)35-19-36-28)21-2-4-23(5-3-21)29(18-34)10-11-29;1-18(35-22-6-8-23(9-7-22)39-28(29,30)31)36-10-12-37(13-11-36)26-24-15-21(16-25(24)33-17-34-26)19-4-3-5-20(14-19)27(38)32-2;1-17(35-21-4-6-22(7-5-21)38-27(28,29)30)36-8-10-37(11-9-36)26-23-12-19(13-24(23)33-16-34-26)20-14-31-25(32-15-20)18-2-3-18;1-18(34-21-5-7-22(8-6-21)38-27(28,29)30)36-10-12-37(13-11-36)26-23-14-20(15-24(23)32-17-33-26)19-4-9-25(31-16-19)35(2)3;1-17-3-4-19(15-30-17)20-13-23-24(14-20)31-16-32-25(23)35-11-9-34(10-12-35)18(2)33-21-5-7-22(8-6-21)36-26(27,28)29/h2-9,16,19,37H,1,10-15,17H2;3-9,14-15,17,35H,1,10-13,16H2,2H3,(H,32,38);4-7,12,14-16,18,35H,1-3,8-11,13H2;4-9,14,16-17,34H,1,10-13,15H2,2-3H3;3-8,13,15-16,33H,2,9-12,14H2,1H3
• InChIKey: UHGMDSCZPIYXGX-UHFFFAOYSA-N
• XLogP: 24.63
• TPSA: 375.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2620.77
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?

The IUPAC name of N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile (CID 161091703) is N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?

The canonical SMILES for N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile is C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C)nc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C4(C#N)CC4)cc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(N(C)C)nc2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C(=O)NC)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2cnc(C4CC4)nc2)C3)CC1.

What is the InChIKey of N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?

The InChIKey is UHGMDSCZPIYXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O.C28H27F3N6O2.C27H26F3N7O.C27H28F3N7O.C26H25F3N6O/c1-20(37-24-6-8-25(9-7-24)40-30(31,32)33)38-12-14-39(15-13-38)28-26-16-22(17-27(26)35-19-36-28)21-2-4-23(5-3-21)29(18-34)10-11-29;1-18(35-22-6-8-23(9-7-22)39-28(29,30)31)36-10-12-37(13-11-36)26-24-15-21(16-25(24)33-17-34-26)19-4-3-5-20(14-19)27(38)32-2;1-17(35-21-4-6-22(7-5-21)38-27(28,29)30)36-8-10-37(11-9-36)26-23-12-19(13-24(23)33-16-34-26)20-14-31-25(32-15-20)18-2-3-18;1-18(34-21-5-7-22(8-6-21)38-27(28,29)30)36-10-12-37(13-11-36)26-23-14-20(15-24(23)32-17-33-26)19-4-9-25(31-16-19)35(2)3;1-17-3-4-19(15-30-17)20-13-23-24(14-20)31-16-32-25(23)35-11-9-34(10-12-35)18(2)33-21-5-7-22(8-6-21)36-26(27,28)29/h2-9,16,19,37H,1,10-15,17H2;3-9,14-15,17,35H,1,10-13,16H2,2H3,(H,32,38);4-7,12,14-16,18,35H,1-3,8-11,13H2;4-9,14,16-17,34H,1,10-13,15H2,2-3H3;3-8,13,15-16,33H,2,9-12,14H2,1H3.

What are the key properties of N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?

N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 2620.77 g/mol, XLogP of 24.63, 34 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 161091703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).