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

C90H85F4N15O3 — CID 157131134

IUPAC6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(F)c5)c(C)[nH]4)CC3)C2)cc1.COc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cccc(OC)c4)C5)CC3)[nH]c2C)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C30H28F3N5O.C30H26FN5.C30H31N5O2/c1-18-6-8-20(9-7-18)23-15-25-26(16-23)34-17-35-29(25)38-12-10-21(11-13-38)28-36-19(2)27(37-28)22-4-3-5-24(14-22)39-30(31,32)33;1-3-20-7-9-21(10-8-20)24-16-26-27(17-24)32-18-33-30(26)36-13-11-22(12-14-36)29-34-19(2)28(35-29)23-5-4-6-25(31)15-23;1-19-28(20-7-9-24(36-2)10-8-20)34-29(33-19)21-11-13-35(14-12-21)30-26-16-23(17-27(26)31-18-32-30)22-5-4-6-25(15-22)37-3/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,36,37);1,4-10,15-16,18,22H,11-14,17H2,2H3,(H,34,35);4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,33,34)
InChIKeyAJBXRCSJXPAHQI-UHFFFAOYSA-N
MW1500.76 g/mol
LogP18.31
Rot. Bonds15

About 6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-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-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (PubChem CID 157131134) has the molecular formula C90H85F4N15O3 and a molecular weight of 1500.76 g/mol. Its IUPAC name is 6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
PubChem CID157131134
Molecular FormulaC90H85F4N15O3
Molecular Weight1500.76 g/mol
Exact Mass1499.69
IUPAC Name6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(F)c5)c(C)[nH]4)CC3)C2)cc1.COc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cccc(OC)c4)C5)CC3)[nH]c2C)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C30H28F3N5O.C30H26FN5.C30H31N5O2/c1-18-6-8-20(9-7-18)23-15-25-26(16-23)34-17-35-29(25)38-12-10-21(11-13-38)28-36-19(2)27(37-28)22-4-3-5-24(14-22)39-30(31,32)33;1-3-20-7-9-21(10-8-20)24-16-26-27(17-24)32-18-33-30(26)36-13-11-22(12-14-36)29-34-19(2)28(35-29)23-5-4-6-25(31)15-23;1-19-28(20-7-9-24(36-2)10-8-20)34-29(33-19)21-11-13-35(14-12-21)30-26-16-23(17-27(26)31-18-32-30)22-5-4-6-25(15-22)37-3/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,36,37);1,4-10,15-16,18,22H,11-14,17H2,2H3,(H,34,35);4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,33,34)
InChIKeyAJBXRCSJXPAHQI-UHFFFAOYSA-N
XLogP18.31
TPSA200.79 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001500.76
LogP ≤ 518.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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

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Related Compounds

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-(4-fluorophenyl)-4-[4-[5-(4-methoxyphenyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413926
6-(4-ethynylphenyl)-4-[4-[4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 130455486
6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 130455489
4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 130455491
ethane;6-(4-fluorophenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 144915514
6-(4-fluorophenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 147747550
6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 149426462
5-[4-[4-[2-[6-(2-ethynyl-3H-benzimidazol-5-yl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4-methylpyrrolo[2,3-d]pyrimidin-7-yl]ethyl]pyrimidin-2-yl]oxy-3-fluorophenyl]-6-(6-ethynyl-4,5-dimethyl-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 155310003
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
6-(4-fluorophenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 157514789
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-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-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (CID 157131134) is 6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-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-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-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-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-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(-c5cccc(F)c5)c(C)[nH]4)CC3)C2)cc1.COc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cccc(OC)c4)C5)CC3)[nH]c2C)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)c(C)[nH]4)CC3)C2)cc1.
What is the InChIKey of 6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The InChIKey is AJBXRCSJXPAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O.C30H26FN5.C30H31N5O2/c1-18-6-8-20(9-7-18)23-15-25-26(16-23)34-17-35-29(25)38-12-10-21(11-13-38)28-36-19(2)27(37-28)22-4-3-5-24(14-22)39-30(31,32)33;1-3-20-7-9-21(10-8-20)24-16-26-27(17-24)32-18-33-30(26)36-13-11-22(12-14-36)29-34-19(2)28(35-29)23-5-4-6-25(31)15-23;1-19-28(20-7-9-24(36-2)10-8-20)34-29(33-19)21-11-13-35(14-12-21)30-26-16-23(17-27(26)31-18-32-30)22-5-4-6-25(15-22)37-3/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,36,37);1,4-10,15-16,18,22H,11-14,17H2,2H3,(H,34,35);4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,33,34).
What are the key properties of 6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-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-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 1500.76 g/mol, XLogP of 18.31, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethynylphenyl)-4-[4-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(3-methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 157131134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).