7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid

C115H119ClN26O19 — CID 161478806

About 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid

7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid (PubChem CID 161478806) has the molecular formula C115H119ClN26O19 and a molecular weight of 2204.83 g/mol. Its IUPAC name is 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid.

Molecular Properties

• Compound Name: 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid
• PubChem CID: 161478806
• Molecular Formula: C115H119ClN26O19
• Molecular Weight: 2204.83 g/mol
• Exact Mass: 2202.88
• IUPAC Name: 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid
• SMILES: COc1cc(Nc2ncc3ccn(-c4ccc(Cl)nc4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCN(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C27H32N6O4.C26H30N6O4.C22H20N4O5.C20H18ClN5O3.C20H19N5O3/c1-32(2)12-7-11-28-26(34)18-8-6-9-21(14-18)33-13-10-19-17-29-27(31-25(19)33)30-20-15-22(35-3)24(37-5)23(16-20)36-4;1-31(2)12-10-27-25(33)17-7-6-8-20(13-17)32-11-9-18-16-28-26(30-24(18)32)29-19-14-21(34-3)23(36-5)22(15-19)35-4;1-29-17-10-15(11-18(30-2)19(17)31-3)24-22-23-12-14-7-8-26(20(14)25-22)16-6-4-5-13(9-16)21(27)28;1-27-15-8-13(9-16(28-2)18(15)29-3)24-20-23-10-12-6-7-26(19(12)25-20)14-4-5-17(21)22-11-14;1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h6,8-10,13-17H,7,11-12H2,1-5H3,(H,28,34)(H,29,30,31);6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,28,29,30);4-12H,1-3H3,(H,27,28)(H,23,24,25);4-11H,1-3H3,(H,23,24,25);4-12H,1-3H3,(H,22,23,24)
• InChIKey: WEBQEEXOEVJXSQ-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 479.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 40
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.83
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid?

The IUPAC name of 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid (CID 161478806) is 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid.

What is the SMILES notation for 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid?

The canonical SMILES for 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid is COc1cc(Nc2ncc3ccn(-c4ccc(Cl)nc4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCN(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC.

What is the InChIKey of 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid?

The InChIKey is WEBQEEXOEVJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4.C26H30N6O4.C22H20N4O5.C20H18ClN5O3.C20H19N5O3/c1-32(2)12-7-11-28-26(34)18-8-6-9-21(14-18)33-13-10-19-17-29-27(31-25(19)33)30-20-15-22(35-3)24(37-5)23(16-20)36-4;1-31(2)12-10-27-25(33)17-7-6-8-20(13-17)32-11-9-18-16-28-26(30-24(18)32)29-19-14-21(34-3)23(36-5)22(15-19)35-4;1-29-17-10-15(11-18(30-2)19(17)31-3)24-22-23-12-14-7-8-26(20(14)25-22)16-6-4-5-13(9-16)21(27)28;1-27-15-8-13(9-16(28-2)18(15)29-3)24-20-23-10-12-6-7-26(19(12)25-20)14-4-5-17(21)22-11-14;1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h6,8-10,13-17H,7,11-12H2,1-5H3,(H,28,34)(H,29,30,31);6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,28,29,30);4-12H,1-3H3,(H,27,28)(H,23,24,25);4-11H,1-3H3,(H,23,24,25);4-12H,1-3H3,(H,22,23,24).

What are the key properties of 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid?

7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid has a molecular weight of 2204.83 g/mol, XLogP of 19.06, 40 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-(dimethylamino)ethyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-[3-(dimethylamino)propyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid is sourced from PubChem (CID 161478806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).