4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C121H112Cl2F6N22O2 — CID 159038992

About 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 159038992) has the molecular formula C121H112Cl2F6N22O2 and a molecular weight of 2091.27 g/mol. Its IUPAC name is 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 159038992
• Molecular Formula: C121H112Cl2F6N22O2
• Molecular Weight: 2091.27 g/mol
• Exact Mass: 2088.86
• IUPAC Name: 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: C#Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(C(F)(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1.C#Cc1ccc(C2=Cc3c(ncnc3N3CCC(C)(C4=NC(C)=C(c5ccc(Cl)cc5)C4)CC3)C2)cc1.COc1ccc(-c2cc3c(N4CCC(C)(c5nc(-c6ccc(C(F)(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1.COc1ccc(C2=Cc3c(ncnc3N3CCC(C)(C4=NC(C)=C(c5ccc(Cl)cc5)C4)CC3)C2)cn1
• InChI: InChI=1S/C32H29ClN4.C30H30ClN5O.C30H25F3N6.C29H28F3N7O/c1-4-22-5-7-23(8-6-22)25-17-28-29(18-25)34-20-35-31(28)37-15-13-32(3,14-16-37)30-19-27(21(2)36-30)24-9-11-26(33)12-10-24;1-19-24(20-4-7-23(31)8-5-20)16-27(35-19)30(2)10-12-36(13-11-30)29-25-14-22(15-26(25)33-18-34-29)21-6-9-28(37-3)32-17-21;1-3-19-4-6-20(7-5-19)25-16-24-28(37-25)34-17-35-29(24)39-14-12-22(13-15-39)27-36-18(2)26(38-27)21-8-10-23(11-9-21)30(31,32)33;1-17-24(18-4-7-20(8-5-18)29(30,31)32)38-27(36-17)28(2)10-12-39(13-11-28)26-21-14-22(37-25(21)34-16-35-26)19-6-9-23(40-3)33-15-19/h1,5-12,17,20H,13-16,18-19H2,2-3H3;4-9,14,17-18H,10-13,15-16H2,1-3H3;1,4-11,16-17,22H,12-15H2,2H3,(H,36,38)(H,34,35,37);4-9,14-16H,10-13H2,1-3H3,(H,36,38)(H,34,35,37)
• InChIKey: JVUULMWWHQKDDO-UHFFFAOYSA-N
• XLogP: 26.61
• TPSA: 273.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2091.27
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 159038992) is 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is C#Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(C(F)(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1.C#Cc1ccc(C2=Cc3c(ncnc3N3CCC(C)(C4=NC(C)=C(c5ccc(Cl)cc5)C4)CC3)C2)cc1.COc1ccc(-c2cc3c(N4CCC(C)(c5nc(-c6ccc(C(F)(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1.COc1ccc(C2=Cc3c(ncnc3N3CCC(C)(C4=NC(C)=C(c5ccc(Cl)cc5)C4)CC3)C2)cn1.

What is the InChIKey of 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is JVUULMWWHQKDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4.C30H30ClN5O.C30H25F3N6.C29H28F3N7O/c1-4-22-5-7-23(8-6-22)25-17-28-29(18-25)34-20-35-31(28)37-15-13-32(3,14-16-37)30-19-27(21(2)36-30)24-9-11-26(33)12-10-24;1-19-24(20-4-7-23(31)8-5-20)16-27(35-19)30(2)10-12-36(13-11-30)29-25-14-22(15-26(25)33-18-34-29)21-6-9-28(37-3)32-17-21;1-3-19-4-6-20(7-5-19)25-16-24-28(37-25)34-17-35-29(24)39-14-12-22(13-15-39)27-36-18(2)26(38-27)21-8-10-23(11-9-21)30(31,32)33;1-17-24(18-4-7-20(8-5-18)29(30,31)32)38-27(36-17)28(2)10-12-39(13-11-28)26-21-14-22(37-25(21)34-16-35-26)19-6-9-23(40-3)33-15-19/h1,5-12,17,20H,13-16,18-19H2,2-3H3;4-9,14,17-18H,10-13,15-16H2,1-3H3;1,4-11,16-17,22H,12-15H2,2H3,(H,36,38)(H,34,35,37);4-9,14-16H,10-13H2,1-3H3,(H,36,38)(H,34,35,37).

What are the key properties of 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?

4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 2091.27 g/mol, XLogP of 26.61, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 159038992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).