6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine

C90H84F5N15O4 — CID 157362081

About 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine

6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (PubChem CID 157362081) has the molecular formula C90H84F5N15O4 and a molecular weight of 1534.75 g/mol. Its IUPAC name is 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.

Molecular Properties

• Compound Name: 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
• PubChem CID: 157362081
• Molecular Formula: C90H84F5N15O4
• Molecular Weight: 1534.75 g/mol
• Exact Mass: 1533.68
• IUPAC Name: 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
• SMILES: C#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC)c(F)c5)c(C)[nH]4)CC3)C2)cc1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(F)c5)c(C)[nH]4)CC3)C2)c1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)c(C)[nH]4)CC3)C2)c1
• InChI: InChI=1S/C31H28FN5O.C30H28F3N5O2.C29H28FN5O/c1-4-20-5-7-21(8-6-20)24-15-25-27(17-24)33-18-34-31(25)37-13-11-22(12-14-37)30-35-19(2)29(36-30)23-9-10-28(38-3)26(32)16-23;1-18-27(21-6-4-8-24(14-21)40-30(31,32)33)37-28(36-18)19-9-11-38(12-10-19)29-25-15-22(16-26(25)34-17-35-29)20-5-3-7-23(13-20)39-2;1-18-27(21-6-3-7-23(30)13-21)34-28(33-18)19-9-11-35(12-10-19)29-25-15-22(16-26(25)31-17-32-29)20-5-4-8-24(14-20)36-2/h1,5-10,15-16,18,22H,11-14,17H2,2-3H3,(H,35,36);3-8,13-15,17,19H,9-12,16H2,1-2H3,(H,36,37);3-8,13-15,17,19H,9-12,16H2,1-2H3,(H,33,34)
• InChIKey: BITIIZDCPBBXFZ-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 210.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.75
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?

The IUPAC name of 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (CID 157362081) is 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.

What is the SMILES notation for 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?

The canonical SMILES for 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is C#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC)c(F)c5)c(C)[nH]4)CC3)C2)cc1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(F)c5)c(C)[nH]4)CC3)C2)c1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)c(C)[nH]4)CC3)C2)c1.

What is the InChIKey of 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?

The InChIKey is BITIIZDCPBBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O.C30H28F3N5O2.C29H28FN5O/c1-4-20-5-7-21(8-6-20)24-15-25-27(17-24)33-18-34-31(25)37-13-11-22(12-14-37)30-35-19(2)29(36-30)23-9-10-28(38-3)26(32)16-23;1-18-27(21-6-4-8-24(14-21)40-30(31,32)33)37-28(36-18)19-9-11-38(12-10-19)29-25-15-22(16-26(25)34-17-35-29)20-5-3-7-23(13-20)39-2;1-18-27(21-6-3-7-23(30)13-21)34-28(33-18)19-9-11-35(12-10-19)29-25-15-22(16-26(25)31-17-32-29)20-5-4-8-24(14-20)36-2/h1,5-10,15-16,18,22H,11-14,17H2,2-3H3,(H,35,36);3-8,13-15,17,19H,9-12,16H2,1-2H3,(H,36,37);3-8,13-15,17,19H,9-12,16H2,1-2H3,(H,33,34).

What are the key properties of 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?

6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 1534.75 g/mol, XLogP of 18.15, 16 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethynylphenyl)-4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 157362081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).