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

C91H98N18O2 — CID 157052731

IUPAC4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCOc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)cc1C.CCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(C)cc6)cc45)CC3)[nH]c2C)cc1.CCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccnc(OC)c6)cc45)CC3)[nH]c2C)cc1
InChIInChI=1S/C32H35N5O.C30H32N6.C29H31N7O/c1-5-38-29-11-10-25(16-21(29)3)30-22(4)35-31(36-30)24-12-14-37(15-13-24)32-27-17-26(18-28(27)33-19-34-32)23-8-6-20(2)7-9-23;1-4-21-7-11-23(12-8-21)27-20(3)33-28(35-27)24-13-15-36(16-14-24)30-25-17-26(34-29(25)31-18-32-30)22-9-5-19(2)6-10-22;1-4-19-5-7-20(8-6-19)26-18(2)33-27(35-26)21-10-13-36(14-11-21)29-23-16-24(34-28(23)31-17-32-29)22-9-12-30-25(15-22)37-3/h6-11,16-17,19,24H,5,12-15,18H2,1-4H3,(H,35,36);5-12,17-18,24H,4,13-16H2,1-3H3,(H,33,35)(H,31,32,34);5-9,12,15-17,21H,4,10-11,13-14H2,1-3H3,(H,33,35)(H,31,32,34)
InChIKeyAAKAGNFYFGMULN-UHFFFAOYSA-N
MW1475.91 g/mol
LogP18.92
Rot. Bonds17

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

4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 157052731) has the molecular formula C91H98N18O2 and a molecular weight of 1475.91 g/mol. Its IUPAC name is 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID157052731
Molecular FormulaC91H98N18O2
Molecular Weight1475.91 g/mol
Exact Mass1474.81
IUPAC Name4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCOc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)cc1C.CCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(C)cc6)cc45)CC3)[nH]c2C)cc1.CCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccnc(OC)c6)cc45)CC3)[nH]c2C)cc1
InChIInChI=1S/C32H35N5O.C30H32N6.C29H31N7O/c1-5-38-29-11-10-25(16-21(29)3)30-22(4)35-31(36-30)24-12-14-37(15-13-24)32-27-17-26(18-28(27)33-19-34-32)23-8-6-20(2)7-9-23;1-4-21-7-11-23(12-8-21)27-20(3)33-28(35-27)24-13-15-36(16-14-24)30-25-17-26(34-29(25)31-18-32-30)22-9-5-19(2)6-10-22;1-4-19-5-7-20(8-6-19)26-18(2)33-27(35-26)21-10-13-36(14-11-21)29-23-16-24(34-28(23)31-17-32-29)22-9-12-30-25(15-22)37-3/h6-11,16-17,19,24H,5,12-15,18H2,1-4H3,(H,35,36);5-12,17-18,24H,4,13-16H2,1-3H3,(H,33,35)(H,31,32,34);5-9,12,15-17,21H,4,10-11,13-14H2,1-3H3,(H,33,35)(H,31,32,34)
InChIKeyAAKAGNFYFGMULN-UHFFFAOYSA-N
XLogP18.92
TPSA236.03 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001475.91
LogP ≤ 518.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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

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Related Compounds

1-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 12020642
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 59703495
4-[4-[5-(4-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118356333
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
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-(4-fluorophenyl)-4-[4-[5-(4-methoxy-3-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413825
4-[4-[5-(4-ethoxy-3-fluoro-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413833
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-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[5-(4-ethoxy-3-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413921
4-[5-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413933
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[5-(4-ethoxy-3-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413959
6-(4-fluorophenyl)-4-[4-[5-(4-isopropoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413975

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 157052731) is 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is CCOc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)cc1C.CCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(C)cc6)cc45)CC3)[nH]c2C)cc1.CCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccnc(OC)c6)cc45)CC3)[nH]c2C)cc1.
What is the InChIKey of 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AAKAGNFYFGMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O.C30H32N6.C29H31N7O/c1-5-38-29-11-10-25(16-21(29)3)30-22(4)35-31(36-30)24-12-14-37(15-13-24)32-27-17-26(18-28(27)33-19-34-32)23-8-6-20(2)7-9-23;1-4-21-7-11-23(12-8-21)27-20(3)33-28(35-27)24-13-15-36(16-14-24)30-25-17-26(34-29(25)31-18-32-30)22-9-5-19(2)6-10-22;1-4-19-5-7-20(8-6-19)26-18(2)33-27(35-26)21-10-13-36(14-11-21)29-23-16-24(34-28(23)31-17-32-29)22-9-12-30-25(15-22)37-3/h6-11,16-17,19,24H,5,12-15,18H2,1-4H3,(H,35,36);5-12,17-18,24H,4,13-16H2,1-3H3,(H,33,35)(H,31,32,34);5-9,12,15-17,21H,4,10-11,13-14H2,1-3H3,(H,33,35)(H,31,32,34).
What are the key properties of 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1475.91 g/mol, XLogP of 18.92, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 157052731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).