4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C96H102N16O4 — CID 158180073

IUPAC4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OCC)c5)c(C)[nH]4)CC3)C2)cc1.CCOc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cccc(OC)c4)C5)CC3)[nH]c2C)ccc1C.Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(OC(C)C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1
InChIInChI=1S/C33H33N5O.C32H35N5O2.C31H34N6O/c1-5-23-8-11-24(12-9-23)27-17-28-29(18-27)34-20-35-33(28)38-15-13-25(14-16-38)32-36-22(4)31(37-32)26-10-7-21(3)30(19-26)39-6-2;1-5-39-29-18-24(10-9-20(29)2)30-21(3)35-31(36-30)22-11-13-37(14-12-22)32-27-16-25(17-28(27)33-19-34-32)23-7-6-8-26(15-23)38-4;1-19(2)38-25-11-9-23(10-12-25)28-21(4)34-29(36-28)24-13-15-37(16-14-24)31-26-17-27(35-30(26)32-18-33-31)22-7-5-20(3)6-8-22/h1,7-12,17,19-20,25H,6,13-16,18H2,2-4H3,(H,36,37);6-10,15-16,18-19,22H,5,11-14,17H2,1-4H3,(H,35,36);5-12,17-19,24H,13-16H2,1-4H3,(H,34,36)(H,32,33,35)
InChIKeyFYMBWRNENJKZHI-UHFFFAOYSA-N
MW1543.98 g/mol
LogP19.52
Rot. Bonds19

About 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158180073) has the molecular formula C96H102N16O4 and a molecular weight of 1543.98 g/mol. Its IUPAC name is 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID158180073
Molecular FormulaC96H102N16O4
Molecular Weight1543.98 g/mol
Exact Mass1542.83
IUPAC Name4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OCC)c5)c(C)[nH]4)CC3)C2)cc1.CCOc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cccc(OC)c4)C5)CC3)[nH]c2C)ccc1C.Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(OC(C)C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1
InChIInChI=1S/C33H33N5O.C32H35N5O2.C31H34N6O/c1-5-23-8-11-24(12-9-23)27-17-28-29(18-27)34-20-35-33(28)38-15-13-25(14-16-38)32-36-22(4)31(37-32)26-10-7-21(3)30(19-26)39-6-2;1-5-39-29-18-24(10-9-20(29)2)30-21(3)35-31(36-30)22-11-13-37(14-12-22)32-27-16-25(17-28(27)33-19-34-32)23-7-6-8-26(15-23)38-4;1-19(2)38-25-11-9-23(10-12-25)28-21(4)34-29(36-28)24-13-15-37(16-14-24)31-26-17-27(35-30(26)32-18-33-31)22-7-5-20(3)6-8-22/h1,7-12,17,19-20,25H,6,13-16,18H2,2-4H3,(H,36,37);6-10,15-16,18-19,22H,5,11-14,17H2,1-4H3,(H,35,36);5-12,17-19,24H,13-16H2,1-4H3,(H,34,36)(H,32,33,35)
InChIKeyFYMBWRNENJKZHI-UHFFFAOYSA-N
XLogP19.52
TPSA225.81 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.98
LogP ≤ 519.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[4-[5-(3-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118356334
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
6-(4-fluorophenyl)-4-[4-[5-(4-isopropoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413975
6-(4-fluorophenyl)-4-[4-[5-(3-methoxy-4-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118414205
4-[4-[5-(3-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 90114599
4-[5-[4-[4-[5-(4-ethoxy-3-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118356339
4-[4-[5-(4-isopropoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413810
4-[4-[5-(3-methoxy-4-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413823
4-[4-[5-(4-ethoxy-3-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413851
4-[4-[5-(3-ethoxy-4-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 118413871
4-[4-[4-[5-(4-isopropoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413892
4-[5-[4-[4-[5-(4-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413895

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 158180073) is 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is C#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OCC)c5)c(C)[nH]4)CC3)C2)cc1.CCOc1cc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cccc(OC)c4)C5)CC3)[nH]c2C)ccc1C.Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(OC(C)C)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1.
What is the InChIKey of 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FYMBWRNENJKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O.C32H35N5O2.C31H34N6O/c1-5-23-8-11-24(12-9-23)27-17-28-29(18-27)34-20-35-33(28)38-15-13-25(14-16-38)32-36-22(4)31(37-32)26-10-7-21(3)30(19-26)39-6-2;1-5-39-29-18-24(10-9-20(29)2)30-21(3)35-31(36-30)22-11-13-37(14-12-22)32-27-16-25(17-28(27)33-19-34-32)23-7-6-8-26(15-23)38-4;1-19(2)38-25-11-9-23(10-12-25)28-21(4)34-29(36-28)24-13-15-37(16-14-24)31-26-17-27(35-30(26)32-18-33-31)22-7-5-20(3)6-8-22/h1,7-12,17,19-20,25H,6,13-16,18H2,2-4H3,(H,36,37);6-10,15-16,18-19,22H,5,11-14,17H2,1-4H3,(H,35,36);5-12,17-19,24H,13-16H2,1-4H3,(H,34,36)(H,32,33,35).
What are the key properties of 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1543.98 g/mol, XLogP of 19.52, 19 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158180073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).