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

C87H88F6N22O2 — CID 159861445

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

6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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 159861445) has the molecular formula C87H88F6N22O2 and a molecular weight of 1587.80 g/mol. Its IUPAC name is 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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: 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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: 159861445
• Molecular Formula: C87H88F6N22O2
• Molecular Weight: 1587.80 g/mol
• Exact Mass: 1586.74
• IUPAC Name: 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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(C2=Cc3c(ncnc3N3CCC(C)(c4nc(-c5cnc(OC)c(F)c5)c(C)[nH]4)CC3)C2)cc1.COc1ccc(-c2nc(C3(C)CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)[nH]c2C)cn1.Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5cnn(C(C)F)c5)cc34)CC2)nc1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C31H29FN6O.C28H28F4N8.C28H31FN8O/c1-5-20-6-8-21(9-7-20)22-14-24-26(16-22)34-18-35-28(24)38-12-10-31(3,11-13-38)30-36-19(2)27(37-30)23-15-25(32)29(39-4)33-17-23;1-16-23(18-4-6-20(7-5-18)28(30,31)32)38-26(36-16)27(3)8-10-39(11-9-27)25-21-12-22(37-24(21)33-15-34-25)19-13-35-40(14-19)17(2)29;1-17-25(19-5-6-24(38-4)30-13-19)35-27(34-17)28(3)7-9-36(10-8-28)26-22-11-20(12-23(22)31-16-32-26)21-14-33-37(15-21)18(2)29/h1,6-9,14-15,17-18H,10-13,16H2,2-4H3,(H,36,37);4-7,12-15,17H,8-11H2,1-3H3,(H,36,38)(H,33,34,37);5-6,11,13-16,18H,7-10,12H2,1-4H3,(H,34,35)
• InChIKey: NRERUIYKTSSQHC-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 268.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.80
LogP ≤ 5	16.86
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 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 159861445) is 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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(C2=Cc3c(ncnc3N3CCC(C)(c4nc(-c5cnc(OC)c(F)c5)c(C)[nH]4)CC3)C2)cc1.COc1ccc(-c2nc(C3(C)CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)[nH]c2C)cn1.Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5cnn(C(C)F)c5)cc34)CC2)nc1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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 NRERUIYKTSSQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN6O.C28H28F4N8.C28H31FN8O/c1-5-20-6-8-21(9-7-20)22-14-24-26(16-22)34-18-35-28(24)38-12-10-31(3,11-13-38)30-36-19(2)27(37-30)23-15-25(32)29(39-4)33-17-23;1-16-23(18-4-6-20(7-5-18)28(30,31)32)38-26(36-16)27(3)8-10-39(11-9-27)25-21-12-22(37-24(21)33-15-34-25)19-13-35-40(14-19)17(2)29;1-17-25(19-5-6-24(38-4)30-13-19)35-27(34-17)28(3)7-9-36(10-8-28)26-22-11-20(12-23(22)31-16-32-26)21-14-33-37(15-21)18(2)29/h1,6-9,14-15,17-18H,10-13,16H2,2-4H3,(H,36,37);4-7,12-15,17H,8-11H2,1-3H3,(H,36,38)(H,33,34,37);5-6,11,13-16,18H,7-10,12H2,1-4H3,(H,34,35).

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

6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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 1587.80 g/mol, XLogP of 16.86, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethynylphenyl)-4-[4-[4-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-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 159861445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).