2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C121H120ClN29O10 — CID 157387197

About 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 157387197) has the molecular formula C121H120ClN29O10 and a molecular weight of 2175.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 157387197
• Molecular Formula: C121H120ClN29O10
• Molecular Weight: 2175.94 g/mol
• Exact Mass: 2173.95
• IUPAC Name: 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
• SMILES: COc1cc(CC(=O)N2CCN(c3ncnc4[nH]c(-c5cccnc5)cc34)CC2)cc(OC)c1.COc1ccc(CC(=O)N2CCN(c3ncnc4[nH]c(-c5cccnc5)cc34)CC2)cc1.COc1cccc(CC(=O)N2CCN(c3ncnc4[nH]c(-c5cccnc5)cc34)CC2)c1.COc1cccc(NC(=O)N2CCN(c3ncnc4[nH]cc(-c5ccccc5)c34)CC2)c1.O=C(Cc1ccccc1Cl)N1CCN(c2ncnc3[nH]c(-c4ccccc4)cc23)CC1
• InChI: InChI=1S/C25H26N6O3.C24H22ClN5O.3C24H24N6O2/c1-33-19-10-17(11-20(13-19)34-2)12-23(32)30-6-8-31(9-7-30)25-21-14-22(18-4-3-5-26-15-18)29-24(21)27-16-28-25;25-20-9-5-4-8-18(20)14-22(31)29-10-12-30(13-11-29)24-19-15-21(17-6-2-1-3-7-17)28-23(19)26-16-27-24;1-32-19-6-2-4-17(12-19)13-22(31)29-8-10-30(11-9-29)24-20-14-21(18-5-3-7-25-15-18)28-23(20)26-16-27-24;1-32-19-6-4-17(5-7-19)13-22(31)29-9-11-30(12-10-29)24-20-14-21(18-3-2-8-25-15-18)28-23(20)26-16-27-24;1-32-19-9-5-8-18(14-19)28-24(31)30-12-10-29(11-13-30)23-21-20(17-6-3-2-4-7-17)15-25-22(21)26-16-27-23/h3-5,10-11,13-16H,6-9,12H2,1-2H3,(H,27,28,29);1-9,15-16H,10-14H2,(H,26,27,28);2-7,12,14-16H,8-11,13H2,1H3,(H,26,27,28);2-8,14-16H,9-13H2,1H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,28,31)(H,25,26,27)
• InChIKey: BLOPREBSYOOJOL-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 422.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.94
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?

The IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 157387197) is 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is COc1cc(CC(=O)N2CCN(c3ncnc4[nH]c(-c5cccnc5)cc34)CC2)cc(OC)c1.COc1ccc(CC(=O)N2CCN(c3ncnc4[nH]c(-c5cccnc5)cc34)CC2)cc1.COc1cccc(CC(=O)N2CCN(c3ncnc4[nH]c(-c5cccnc5)cc34)CC2)c1.COc1cccc(NC(=O)N2CCN(c3ncnc4[nH]cc(-c5ccccc5)c34)CC2)c1.O=C(Cc1ccccc1Cl)N1CCN(c2ncnc3[nH]c(-c4ccccc4)cc23)CC1.

What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?

The InChIKey is BLOPREBSYOOJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C24H22ClN5O.3C24H24N6O2/c1-33-19-10-17(11-20(13-19)34-2)12-23(32)30-6-8-31(9-7-30)25-21-14-22(18-4-3-5-26-15-18)29-24(21)27-16-28-25;25-20-9-5-4-8-18(20)14-22(31)29-10-12-30(13-11-29)24-19-15-21(17-6-2-1-3-7-17)28-23(19)26-16-27-24;1-32-19-6-2-4-17(12-19)13-22(31)29-8-10-30(11-9-29)24-20-14-21(18-5-3-7-25-15-18)28-23(20)26-16-27-24;1-32-19-6-4-17(5-7-19)13-22(31)29-9-11-30(12-10-29)24-20-14-21(18-3-2-8-25-15-18)28-23(20)26-16-27-24;1-32-19-9-5-8-18(14-19)28-24(31)30-12-10-29(11-13-30)23-21-20(17-6-3-2-4-7-17)15-25-22(21)26-16-27-23/h3-5,10-11,13-16H,6-9,12H2,1-2H3,(H,27,28,29);1-9,15-16H,10-14H2,(H,26,27,28);2-7,12,14-16H,8-11,13H2,1H3,(H,26,27,28);2-8,14-16H,9-13H2,1H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,28,31)(H,25,26,27).

What are the key properties of 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?

2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 2175.94 g/mol, XLogP of 16.93, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3,5-dimethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(3-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;2-(3-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-methoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 157387197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).