[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one

C133H179Cl5FN23O10 — CID 157499539

About [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one

[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one (PubChem CID 157499539) has the molecular formula C133H179Cl5FN23O10 and a molecular weight of 2456.31 g/mol. Its IUPAC name is [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one
• PubChem CID: 157499539
• Molecular Formula: C133H179Cl5FN23O10
• Molecular Weight: 2456.31 g/mol
• Exact Mass: 2452.26
• IUPAC Name: [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one
• SMILES: CCC(=O)C1CCN(C2CCN(C(=O)c3ncnc(NCC4CCN(c5ccccc5)C4)c3C)CC2)CC1.COC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)C)cc4)c3C)CC2)CC1.COC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(F)c4)c3C)CC2)CC1.Cc1nc(CCCc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1.Cc1nc(NCc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1
• InChI: InChI=1S/C30H42N6O2.C28H40N4O2.C26H34Cl2N4O2.C25H32ClFN4O2.C24H31Cl2N5O2/c1-3-27(37)24-10-15-34(16-11-24)26-12-17-35(18-13-26)30(38)28-22(2)29(33-21-32-28)31-19-23-9-14-36(20-23)25-7-5-4-6-8-25;1-20(2)23-8-5-22(6-9-23)7-10-26-21(3)27(30-19-29-26)28(33)32-15-11-24(12-16-32)31-17-13-25(34-4)14-18-31;1-17-24(5-3-4-19-6-7-22(27)23(28)16-19)29-18(2)30-25(17)26(34)32-12-8-20(9-13-32)31-14-10-21(33)11-15-31;1-17-23(6-4-18-3-5-21(26)22(27)15-18)28-16-29-24(17)25(32)31-11-7-19(8-12-31)30-13-9-20(33-2)10-14-30;1-15-22(24(33)31-9-5-18(6-10-31)30-11-7-19(32)8-12-30)28-16(2)29-23(15)27-14-17-3-4-20(25)21(26)13-17/h4-8,21,23-24,26H,3,9-20H2,1-2H3,(H,31,32,33);5-6,8-9,19-20,24-25H,7,10-18H2,1-4H3;6-7,16,20-21,33H,3-5,8-15H2,1-2H3;3,5,15-16,19-20H,4,6-14H2,1-2H3;3-4,13,18-19,32H,5-12,14H2,1-2H3,(H,27,28,29)
• InChIKey: BYFZKCYXEJARPO-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 349.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.31
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one?

The IUPAC name of [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one (CID 157499539) is [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one.

What is the SMILES notation for [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one?

The canonical SMILES for [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one is CCC(=O)C1CCN(C2CCN(C(=O)c3ncnc(NCC4CCN(c5ccccc5)C4)c3C)CC2)CC1.COC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)C)cc4)c3C)CC2)CC1.COC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(F)c4)c3C)CC2)CC1.Cc1nc(CCCc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1.Cc1nc(NCc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1.

What is the InChIKey of [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one?

The InChIKey is BYFZKCYXEJARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O2.C28H40N4O2.C26H34Cl2N4O2.C25H32ClFN4O2.C24H31Cl2N5O2/c1-3-27(37)24-10-15-34(16-11-24)26-12-17-35(18-13-26)30(38)28-22(2)29(33-21-32-28)31-19-23-9-14-36(20-23)25-7-5-4-6-8-25;1-20(2)23-8-5-22(6-9-23)7-10-26-21(3)27(30-19-29-26)28(33)32-15-11-24(12-16-32)31-17-13-25(34-4)14-18-31;1-17-24(5-3-4-19-6-7-22(27)23(28)16-19)29-18(2)30-25(17)26(34)32-12-8-20(9-13-32)31-14-10-21(33)11-15-31;1-17-23(6-4-18-3-5-21(26)22(27)15-18)28-16-29-24(17)25(32)31-11-7-19(8-12-31)30-13-9-20(33-2)10-14-30;1-15-22(24(33)31-9-5-18(6-10-31)30-11-7-19(32)8-12-30)28-16(2)29-23(15)27-14-17-3-4-20(25)21(26)13-17/h4-8,21,23-24,26H,3,9-20H2,1-2H3,(H,31,32,33);5-6,8-9,19-20,24-25H,7,10-18H2,1-4H3;6-7,16,20-21,33H,3-5,8-15H2,1-2H3;3,5,15-16,19-20H,4,6-14H2,1-2H3;3-4,13,18-19,32H,5-12,14H2,1-2H3,(H,27,28,29).

What are the key properties of [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one?

[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one has a molecular weight of 2456.31 g/mol, XLogP of 21.22, 32 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methylamino]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-2,5-dimethylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-yl]methanone;1-[1-[1-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 157499539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).