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

C88H85F6N17O4 — CID 161016439

IUPAC6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCOc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC(F)(F)F)cc5)c(C)[nH]4)CC3)C2)c1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC(F)(F)F)cc5)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C30H28F3N5O2.C30H28F3N5O.C28H29N7O/c1-18-27(19-6-8-23(9-7-19)40-30(31,32)33)37-28(36-18)20-10-12-38(13-11-20)29-25-15-22(16-26(25)34-17-35-29)21-4-3-5-24(14-21)39-2;1-18-3-5-20(6-4-18)23-15-25-26(16-23)34-17-35-29(25)38-13-11-22(12-14-38)28-36-19(2)27(37-28)21-7-9-24(10-8-21)39-30(31,32)33;1-17-4-6-19(7-5-17)25-18(2)32-26(34-25)20-9-12-35(13-10-20)28-22-15-23(33-27(22)30-16-31-28)21-8-11-29-24(14-21)36-3/h3-9,14-15,17,20H,10-13,16H2,1-2H3,(H,36,37);3-10,15,17,22H,11-14,16H2,1-2H3,(H,36,37);4-8,11,14-16,20H,9-10,12-13H2,1-3H3,(H,32,34)(H,30,31,33)
InChIKeyTXUCIWGDILMNJQ-UHFFFAOYSA-N
MW1558.75 g/mol
LogP18.85
Rot. Bonds16

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

6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (PubChem CID 161016439) has the molecular formula C88H85F6N17O4 and a molecular weight of 1558.75 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
PubChem CID161016439
Molecular FormulaC88H85F6N17O4
Molecular Weight1558.75 g/mol
Exact Mass1557.69
IUPAC Name6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCOc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC(F)(F)F)cc5)c(C)[nH]4)CC3)C2)c1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC(F)(F)F)cc5)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C30H28F3N5O2.C30H28F3N5O.C28H29N7O/c1-18-27(19-6-8-23(9-7-19)40-30(31,32)33)37-28(36-18)20-10-12-38(13-11-20)29-25-15-22(16-26(25)34-17-35-29)21-4-3-5-24(14-21)39-2;1-18-3-5-20(6-4-18)23-15-25-26(16-23)34-17-35-29(25)38-13-11-22(12-14-38)28-36-19(2)27(37-28)21-7-9-24(10-8-21)39-30(31,32)33;1-17-4-6-19(7-5-17)25-18(2)32-26(34-25)20-9-12-35(13-10-20)28-22-15-23(33-27(22)30-16-31-28)21-8-11-29-24(14-21)36-3/h3-9,14-15,17,20H,10-13,16H2,1-2H3,(H,36,37);3-10,15,17,22H,11-14,16H2,1-2H3,(H,36,37);4-8,11,14-16,20H,9-10,12-13H2,1-3H3,(H,32,34)(H,30,31,33)
InChIKeyTXUCIWGDILMNJQ-UHFFFAOYSA-N
XLogP18.85
TPSA238.70 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001558.75
LogP ≤ 518.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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

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Related Compounds

4-[4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118356303
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
4-[4-[5-(3-fluorophenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118356321
4-[4-[5-(3-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118356334
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
4-[4-[5-(4-fluorophenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118356346
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
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413826

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (CID 161016439) is 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC(F)(F)F)cc5)c(C)[nH]4)CC3)C2)c1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC(F)(F)F)cc5)c(C)[nH]4)CC3)C2)cc1.
What is the InChIKey of 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The InChIKey is TXUCIWGDILMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O2.C30H28F3N5O.C28H29N7O/c1-18-27(19-6-8-23(9-7-19)40-30(31,32)33)37-28(36-18)20-10-12-38(13-11-20)29-25-15-22(16-26(25)34-17-35-29)21-4-3-5-24(14-21)39-2;1-18-3-5-20(6-4-18)23-15-25-26(16-23)34-17-35-29(25)38-13-11-22(12-14-38)28-36-19(2)27(37-28)21-7-9-24(10-8-21)39-30(31,32)33;1-17-4-6-19(7-5-17)25-18(2)32-26(34-25)20-9-12-35(13-10-20)28-22-15-23(33-27(22)30-16-31-28)21-8-11-29-24(14-21)36-3/h3-9,14-15,17,20H,10-13,16H2,1-2H3,(H,36,37);3-10,15,17,22H,11-14,16H2,1-2H3,(H,36,37);4-8,11,14-16,20H,9-10,12-13H2,1-3H3,(H,32,34)(H,30,31,33).
What are the key properties of 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 1558.75 g/mol, XLogP of 18.85, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 161016439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).