4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine

C91H92F3N15O3 — CID 162087210

IUPAC4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine
SMILESCOc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)ccc1C.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OC)c5)c(C)[nH]4)CC3)C2)c1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3ccnc(C(F)(F)F)c3)C4)CC2)nc1-c1ccccc1
InChIInChI=1S/C31H33N5O2.C31H33N5O.C29H26F3N5/c1-19-8-9-23(17-28(19)38-4)29-20(2)34-30(35-29)21-10-12-36(13-11-21)31-26-15-24(16-27(26)32-18-33-31)22-6-5-7-25(14-22)37-3;1-19-5-8-22(9-6-19)25-15-26-27(16-25)32-18-33-31(26)36-13-11-23(12-14-36)30-34-21(3)29(35-30)24-10-7-20(2)28(17-24)37-4;1-18-27(19-5-3-2-4-6-19)36-28(35-18)20-9-13-37(14-10-20)25-8-12-33-24-16-22(15-23(24)25)21-7-11-34-26(17-21)29(30,31)32/h5-9,14-15,17-18,21H,10-13,16H2,1-4H3,(H,34,35);5-10,15,17-18,23H,11-14,16H2,1-4H3,(H,34,35);2-8,11-12,15,17,20H,9-10,13-14,16H2,1H3,(H,35,36)
InChIKeyZDCYCIRWSSGCAF-UHFFFAOYSA-N
MW1500.83 g/mol
LogP18.94
Rot. Bonds15

About 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine

4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine (PubChem CID 162087210) has the molecular formula C91H92F3N15O3 and a molecular weight of 1500.83 g/mol. Its IUPAC name is 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine
PubChem CID162087210
Molecular FormulaC91H92F3N15O3
Molecular Weight1500.83 g/mol
Exact Mass1499.75
IUPAC Name4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine
SMILESCOc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)ccc1C.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OC)c5)c(C)[nH]4)CC3)C2)c1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3ccnc(C(F)(F)F)c3)C4)CC2)nc1-c1ccccc1
InChIInChI=1S/C31H33N5O2.C31H33N5O.C29H26F3N5/c1-19-8-9-23(17-28(19)38-4)29-20(2)34-30(35-29)21-10-12-36(13-11-21)31-26-15-24(16-27(26)32-18-33-31)22-6-5-7-25(14-22)37-3;1-19-5-8-22(9-6-19)25-15-26-27(16-25)32-18-33-31(26)36-13-11-23(12-14-36)30-34-21(3)29(35-30)24-10-7-20(2)28(17-24)37-4;1-18-27(19-5-3-2-4-6-19)36-28(35-18)20-9-13-37(14-10-20)25-8-12-33-24-16-22(15-23(24)25)21-7-11-34-26(17-21)29(30,31)32/h5-9,14-15,17-18,21H,10-13,16H2,1-4H3,(H,34,35);5-10,15,17-18,23H,11-14,16H2,1-4H3,(H,34,35);2-8,11-12,15,17,20H,9-10,13-14,16H2,1H3,(H,35,36)
InChIKeyZDCYCIRWSSGCAF-UHFFFAOYSA-N
XLogP18.94
TPSA200.79 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001500.83
LogP ≤ 518.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

5-[4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile
CID 118356312
6-(4-fluorophenyl)-4-[4-[4-methyl-5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118356342
6-(2-methoxy-4-pyridyl)-4-[4-[5-(p-tolyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118356351
4-[4-[5-(4-methoxyphenyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413809
6-(2-methoxy-4-pyridyl)-4-[4-[4-methyl-5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413815
4-[4-[5-[4-(difluoromethyl)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413820
4-[5-[4-[4-[5-(3-fluoro-4-methoxy-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413822
4-[4-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413840
4-[4-[5-(3-ethoxy-4-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413867
4-[4-[4-[5-(3-methoxyphenyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413868
6-(6-methoxy-3-pyridyl)-4-[4-methyl-4-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413873
4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413883

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine (CID 162087210) is 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine is COc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)ccc1C.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OC)c5)c(C)[nH]4)CC3)C2)c1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3ccnc(C(F)(F)F)c3)C4)CC2)nc1-c1ccccc1.
What is the InChIKey of 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine?
The InChIKey is ZDCYCIRWSSGCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O2.C31H33N5O.C29H26F3N5/c1-19-8-9-23(17-28(19)38-4)29-20(2)34-30(35-29)21-10-12-36(13-11-21)31-26-15-24(16-27(26)32-18-33-31)22-6-5-7-25(14-22)37-3;1-19-5-8-22(9-6-19)25-15-26-27(16-25)32-18-33-31(26)36-13-11-23(12-14-36)30-34-21(3)29(35-30)24-10-7-20(2)28(17-24)37-4;1-18-27(19-5-3-2-4-6-19)36-28(35-18)20-9-13-37(14-10-20)25-8-12-33-24-16-22(15-23(24)25)21-7-11-34-26(17-21)29(30,31)32/h5-9,14-15,17-18,21H,10-13,16H2,1-4H3,(H,34,35);5-10,15,17-18,23H,11-14,16H2,1-4H3,(H,34,35);2-8,11-12,15,17,20H,9-10,13-14,16H2,1H3,(H,35,36).
What are the key properties of 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine?
4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine has a molecular weight of 1500.83 g/mol, XLogP of 18.94, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 162087210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).