2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone

C143H169N35O5 — CID 157359582

About 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone

2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone (PubChem CID 157359582) has the molecular formula C143H169N35O5 and a molecular weight of 2458.16 g/mol. Its IUPAC name is 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
• PubChem CID: 157359582
• Molecular Formula: C143H169N35O5
• Molecular Weight: 2458.16 g/mol
• Exact Mass: 2456.40
• IUPAC Name: 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
• SMILES: CCC(CC)n1ccc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCC(CC)n1ccc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21.CCC(CC)n1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCC(CC)n1ccc2cnc(Nc3cccc(NC(=O)c4ccncc4)c3)nc21.CCC(c1ccccc1)N1C(=O)Cc2cnc(Nc3cccc(OCCn4ccnc4)c3)nc21.CCC(c1ccccc1)n1ccc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21
• InChI: InChI=1S/C27H30N6O.C26H26N6O2.C23H30N6O.C23H24N6O.C22H30N6.C22H29N5/c1-3-25(21-7-5-4-6-8-21)33-14-13-22-19-28-27(30-26(22)33)29-23-9-11-24(12-10-23)32-17-15-31(16-18-32)20(2)34;1-2-23(19-7-4-3-5-8-19)32-24(33)15-20-17-28-26(30-25(20)32)29-21-9-6-10-22(16-21)34-14-13-31-12-11-27-18-31;1-4-20(5-2)29-11-10-18-16-24-23(26-22(18)29)25-19-6-8-21(9-7-19)28-14-12-27(13-15-28)17(3)30;1-3-20(4-2)29-13-10-17-15-25-23(28-21(17)29)27-19-7-5-6-18(14-19)26-22(30)16-8-11-24-12-9-16;1-4-19(5-2)28-11-10-17-16-23-22(25-21(17)28)24-18-6-8-20(9-7-18)27-14-12-26(3)13-15-27;1-3-20(4-2)27-13-11-18-15-24-22(26-21(18)27)25-19-9-7-16(8-10-19)17-6-5-12-23-14-17/h4-14,19,25H,3,15-18H2,1-2H3,(H,28,29,30);3-12,16-18,23H,2,13-15H2,1H3,(H,28,29,30);6-11,16,20H,4-5,12-15H2,1-3H3,(H,24,25,26);5-15,20H,3-4H2,1-2H3,(H,26,30)(H,25,27,28);6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,24,25);7-11,13,15,17,20,23H,3-6,12,14H2,1-2H3,(H,24,25,26)
• InChIKey: BIMASERUASMTQO-UHFFFAOYSA-N
• XLogP: 28.06
• TPSA: 406.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.16
LogP ≤ 5	28.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone (CID 157359582) is 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone is CCC(CC)n1ccc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCC(CC)n1ccc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21.CCC(CC)n1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCC(CC)n1ccc2cnc(Nc3cccc(NC(=O)c4ccncc4)c3)nc21.CCC(c1ccccc1)N1C(=O)Cc2cnc(Nc3cccc(OCCn4ccnc4)c3)nc21.CCC(c1ccccc1)n1ccc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21.

What is the InChIKey of 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone?

The InChIKey is BIMASERUASMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O.C26H26N6O2.C23H30N6O.C23H24N6O.C22H30N6.C22H29N5/c1-3-25(21-7-5-4-6-8-21)33-14-13-22-19-28-27(30-26(22)33)29-23-9-11-24(12-10-23)32-17-15-31(16-18-32)20(2)34;1-2-23(19-7-4-3-5-8-19)32-24(33)15-20-17-28-26(30-25(20)32)29-21-9-6-10-22(16-21)34-14-13-31-12-11-27-18-31;1-4-20(5-2)29-11-10-18-16-24-23(26-22(18)29)25-19-6-8-21(9-7-19)28-14-12-27(13-15-28)17(3)30;1-3-20(4-2)29-13-10-17-15-25-23(28-21(17)29)27-19-7-5-6-18(14-19)26-22(30)16-8-11-24-12-9-16;1-4-19(5-2)28-11-10-17-16-23-22(25-21(17)28)24-18-6-8-20(9-7-18)27-14-12-26(3)13-15-27;1-3-20(4-2)27-13-11-18-15-24-22(26-21(18)27)25-19-9-7-16(8-10-19)17-6-5-12-23-14-17/h4-14,19,25H,3,15-18H2,1-2H3,(H,28,29,30);3-12,16-18,23H,2,13-15H2,1H3,(H,28,29,30);6-11,16,20H,4-5,12-15H2,1-3H3,(H,24,25,26);5-15,20H,3-4H2,1-2H3,(H,26,30)(H,25,27,28);6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,24,25);7-11,13,15,17,20,23H,3-6,12,14H2,1-2H3,(H,24,25,26).

What are the key properties of 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone?

2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone has a molecular weight of 2458.16 g/mol, XLogP of 28.06, 40 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-imidazol-1-ylethoxy)anilino]-7-(1-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide;1-[4-[4-[[7-(1-phenylpropyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157359582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).