N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate

C120H125ClN26O16 — CID 160920396

About N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate

N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate (PubChem CID 160920396) has the molecular formula C120H125ClN26O16 and a molecular weight of 2222.94 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate.

Molecular Properties

• Compound Name: N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate
• PubChem CID: 160920396
• Molecular Formula: C120H125ClN26O16
• Molecular Weight: 2222.94 g/mol
• Exact Mass: 2220.95
• IUPAC Name: N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate
• SMILES: COC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)ccc3C)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NC5CCC(N)CC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCO)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)NCCCCN(C)C)c3n2)cc(OC)c1OC.Clc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
• InChI: InChI=1S/C28H32N6O4.C28H34N6O4.C25H27N5O5.C22H20N4O3.C17H12ClN5/c1-36-23-14-21(15-24(37-2)25(23)38-3)32-28-30-16-18-11-12-34(26(18)33-28)22-6-4-5-17(13-22)27(35)31-20-9-7-19(29)8-10-20;1-33(2)14-9-8-13-29-27(35)21-10-6-7-11-22(21)34-15-12-19-18-30-28(32-26(19)34)31-20-16-23(36-3)25(38-5)24(17-20)37-4;1-33-20-13-18(14-21(34-2)22(20)35-3)28-25-27-15-17-8-10-30(23(17)29-25)19-7-4-6-16(12-19)24(32)26-9-5-11-31;1-14-8-9-16(28-2)12-18(14)24-22-23-13-15-10-11-26(20(15)25-22)19-7-5-4-6-17(19)21(27)29-3;18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h4-6,11-16,19-20H,7-10,29H2,1-3H3,(H,31,35)(H,30,32,33);6-7,10-12,15-18H,8-9,13-14H2,1-5H3,(H,29,35)(H,30,31,32);4,6-8,10,12-15,31H,5,9,11H2,1-3H3,(H,26,32)(H,27,28,29);4-13H,1-3H3,(H,23,24,25);1-11H,(H,20,21,22)
• InChIKey: SRYJDUDVQHSRCS-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 481.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2222.94
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate?

The IUPAC name of N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate (CID 160920396) is N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate.

What is the SMILES notation for N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate?

The canonical SMILES for N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate is COC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)ccc3C)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NC5CCC(N)CC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCO)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)NCCCCN(C)C)c3n2)cc(OC)c1OC.Clc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.

What is the InChIKey of N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate?

The InChIKey is SRYJDUDVQHSRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4.C28H34N6O4.C25H27N5O5.C22H20N4O3.C17H12ClN5/c1-36-23-14-21(15-24(37-2)25(23)38-3)32-28-30-16-18-11-12-34(26(18)33-28)22-6-4-5-17(13-22)27(35)31-20-9-7-19(29)8-10-20;1-33(2)14-9-8-13-29-27(35)21-10-6-7-11-22(21)34-15-12-19-18-30-28(32-26(19)34)31-20-16-23(36-3)25(38-5)24(17-20)37-4;1-33-20-13-18(14-21(34-2)22(20)35-3)28-25-27-15-17-8-10-30(23(17)29-25)19-7-4-6-16(12-19)24(32)26-9-5-11-31;1-14-8-9-16(28-2)12-18(14)24-22-23-13-15-10-11-26(20(15)25-22)19-7-5-4-6-17(19)21(27)29-3;18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h4-6,11-16,19-20H,7-10,29H2,1-3H3,(H,31,35)(H,30,32,33);6-7,10-12,15-18H,8-9,13-14H2,1-5H3,(H,29,35)(H,30,31,32);4,6-8,10,12-15,31H,5,9,11H2,1-3H3,(H,26,32)(H,27,28,29);4-13H,1-3H3,(H,23,24,25);1-11H,(H,20,21,22).

What are the key properties of N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate?

N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate has a molecular weight of 2222.94 g/mol, XLogP of 20.23, 38 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminocyclohexyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(3-hydroxypropyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;methyl 2-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate is sourced from PubChem (CID 160920396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).