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

C91H94ClN15O4 — CID 158017512

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

4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine (PubChem CID 158017512) has the molecular formula C91H94ClN15O4 and a molecular weight of 1497.31 g/mol. Its IUPAC name is 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine
• PubChem CID: 158017512
• Molecular Formula: C91H94ClN15O4
• Molecular Weight: 1497.31 g/mol
• Exact Mass: 1495.73
• IUPAC Name: 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine
• SMILES: COc1cc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(Cl)cc5)c(C)[nH]4)CC3)C2)ccn1.COc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)cc1OC.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)C2)cc1
• InChI: InChI=1S/C32H34N4O.C31H33N5O2.C28H27ClN6O/c1-21-5-7-23(8-6-21)25-17-28-29(18-25)33-20-34-31(28)36-15-13-32(3,14-16-36)30-19-27(22(2)35-30)24-9-11-26(37-4)12-10-24;1-19-5-7-21(8-6-19)24-15-25-26(16-24)32-18-33-31(25)36-13-11-22(12-14-36)30-34-20(2)29(35-30)23-9-10-27(37-3)28(17-23)38-4;1-17-26(18-3-5-22(29)6-4-18)34-27(33-17)19-8-11-35(12-9-19)28-23-13-21(14-24(23)31-16-32-28)20-7-10-30-25(15-20)36-2/h5-12,17,20H,13-16,18-19H2,1-4H3;5-10,15,17-18,22H,11-14,16H2,1-4H3,(H,34,35);3-7,10,13,15-16,19H,8-9,11-12,14H2,1-2H3,(H,33,34)
• InChIKey: FFQPRJFOELDPCF-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 206.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.31
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine?

The IUPAC name of 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine (CID 158017512) is 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine.

What is the SMILES notation for 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine?

The canonical SMILES for 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine is COc1cc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(Cl)cc5)c(C)[nH]4)CC3)C2)ccn1.COc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)[nH]c2C)cc1OC.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccc(C)cc4)C5)CC3)C2)cc1.

What is the InChIKey of 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine?

The InChIKey is FFQPRJFOELDPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O.C31H33N5O2.C28H27ClN6O/c1-21-5-7-23(8-6-21)25-17-28-29(18-25)33-20-34-31(28)36-15-13-32(3,14-16-36)30-19-27(22(2)35-30)24-9-11-26(37-4)12-10-24;1-19-5-7-21(8-6-19)24-15-25-26(16-24)32-18-33-31(25)36-13-11-22(12-14-36)30-34-20(2)29(35-30)23-9-10-27(37-3)28(17-23)38-4;1-17-26(18-3-5-22(29)6-4-18)34-27(33-17)19-8-11-35(12-9-19)28-23-13-21(14-24(23)31-16-32-28)20-7-10-30-25(15-20)36-2/h5-12,17,20H,13-16,18-19H2,1-4H3;5-10,15,17-18,22H,11-14,16H2,1-4H3,(H,34,35);3-7,10,13,15-16,19H,8-9,11-12,14H2,1-2H3,(H,33,34).

What are the key properties of 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine?

4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine has a molecular weight of 1497.31 g/mol, XLogP of 18.47, 16 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 158017512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).