4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine

C122H126N20O6 — CID 159542396

IUPAC4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(C)(C4=NC(C)=C(c5ccc(OC)cc5)C4)CC3)C2)cc1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccnc(OC)c4)C5)CC3)C2)cc1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC)c(OC)c5)c(C)[nH]4)CC3)C2)c1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3cnn(C)c3)C4)CC2)[nH]c1-c1ccccc1
InChIInChI=1S/C33H32N4O.C31H33N5O3.C31H33N5O2.C27H28N6/c1-5-23-6-8-24(9-7-23)26-18-29-30(19-26)34-21-35-32(29)37-16-14-33(3,15-17-37)31-20-28(22(2)36-31)25-10-12-27(38-4)13-11-25;1-19-29(22-8-9-27(38-3)28(17-22)39-4)35-30(34-19)20-10-12-36(13-11-20)31-25-15-23(16-26(25)32-18-33-31)21-6-5-7-24(14-21)37-2;1-20-25(21-5-7-24(37-3)8-6-21)18-28(35-20)31(2)10-13-36(14-11-31)30-26-15-23(16-27(26)33-19-34-30)22-9-12-32-29(17-22)38-4;1-18-12-24(31-26(18)20-6-4-3-5-7-20)19-8-10-33(11-9-19)27-23-13-21(14-25(23)28-17-29-27)22-15-30-32(2)16-22/h1,6-13,18,21H,14-17,19-20H2,2-4H3;5-9,14-15,17-18,20H,10-13,16H2,1-4H3,(H,34,35);5-9,12,15,17,19H,10-11,13-14,16,18H2,1-4H3;3-7,12-13,15-17,19,31H,8-11,14H2,1-2H3
InChIKeyMEJOIWQJUMXUAZ-UHFFFAOYSA-N
MW1968.48 g/mol
LogP22.99
Rot. Bonds22

About 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine

4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine (PubChem CID 159542396) has the molecular formula C122H126N20O6 and a molecular weight of 1968.48 g/mol. Its IUPAC name is 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine
PubChem CID159542396
Molecular FormulaC122H126N20O6
Molecular Weight1968.48 g/mol
Exact Mass1967.02
IUPAC Name4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(C)(C4=NC(C)=C(c5ccc(OC)cc5)C4)CC3)C2)cc1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccnc(OC)c4)C5)CC3)C2)cc1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC)c(OC)c5)c(C)[nH]4)CC3)C2)c1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3cnn(C)c3)C4)CC2)[nH]c1-c1ccccc1
InChIInChI=1S/C33H32N4O.C31H33N5O3.C31H33N5O2.C27H28N6/c1-5-23-6-8-24(9-7-23)26-18-29-30(19-26)34-21-35-32(29)37-16-14-33(3,15-17-37)31-20-28(22(2)36-31)25-10-12-27(38-4)13-11-25;1-19-29(22-8-9-27(38-3)28(17-22)39-4)35-30(34-19)20-10-12-36(13-11-20)31-25-15-23(16-26(25)32-18-33-31)21-6-5-7-24(14-21)37-2;1-20-25(21-5-7-24(37-3)8-6-21)18-28(35-20)31(2)10-13-36(14-11-31)30-26-15-23(16-27(26)33-19-34-30)22-9-12-32-29(17-22)38-4;1-18-12-24(31-26(18)20-6-4-3-5-7-20)19-8-10-33(11-9-19)27-23-13-21(14-25(23)28-17-29-27)22-15-30-32(2)16-22/h1,6-13,18,21H,14-17,19-20H2,2-4H3;5-9,14-15,17-18,20H,10-13,16H2,1-4H3,(H,34,35);5-9,12,15,17,19H,10-11,13-14,16,18H2,1-4H3;3-7,12-13,15-17,19,31H,8-11,14H2,1-2H3
InChIKeyMEJOIWQJUMXUAZ-UHFFFAOYSA-N
XLogP22.99
TPSA271.36 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.48
LogP ≤ 522.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine (CID 159542396) is 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine is C#Cc1ccc(C2=Cc3c(ncnc3N3CCC(C)(C4=NC(C)=C(c5ccc(OC)cc5)C4)CC3)C2)cc1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccnc(OC)c4)C5)CC3)C2)cc1.COc1cccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(OC)c(OC)c5)c(C)[nH]4)CC3)C2)c1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3cnn(C)c3)C4)CC2)[nH]c1-c1ccccc1.
What is the InChIKey of 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine?
The InChIKey is MEJOIWQJUMXUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O.C31H33N5O3.C31H33N5O2.C27H28N6/c1-5-23-6-8-24(9-7-23)26-18-29-30(19-26)34-21-35-32(29)37-16-14-33(3,15-17-37)31-20-28(22(2)36-31)25-10-12-27(38-4)13-11-25;1-19-29(22-8-9-27(38-3)28(17-22)39-4)35-30(34-19)20-10-12-36(13-11-20)31-25-15-23(16-26(25)32-18-33-31)21-6-5-7-24(14-21)37-2;1-20-25(21-5-7-24(37-3)8-6-21)18-28(35-20)31(2)10-13-36(14-11-31)30-26-15-23(16-27(26)33-19-34-30)22-9-12-32-29(17-22)38-4;1-18-12-24(31-26(18)20-6-4-3-5-7-20)19-8-10-33(11-9-19)27-23-13-21(14-25(23)28-17-29-27)22-15-30-32(2)16-22/h1,6-13,18,21H,14-17,19-20H2,2-4H3;5-9,14-15,17-18,20H,10-13,16H2,1-4H3,(H,34,35);5-9,12,15,17,19H,10-11,13-14,16,18H2,1-4H3;3-7,12-13,15-17,19,31H,8-11,14H2,1-2H3.
What are the key properties of 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine?
4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine has a molecular weight of 1968.48 g/mol, XLogP of 22.99, 22 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 159542396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).