2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide

C62H75ClF6N12O6Si2 — CID 157257258

About 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide

2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide (PubChem CID 157257258) has the molecular formula C62H75ClF6N12O6Si2 and a molecular weight of 1289.97 g/mol. Its IUPAC name is 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide.

Molecular Properties

• Compound Name: 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide
• PubChem CID: 157257258
• Molecular Formula: C62H75ClF6N12O6Si2
• Molecular Weight: 1289.97 g/mol
• Exact Mass: 1288.51
• IUPAC Name: 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide
• SMILES: CNC(=O)c1ccccc1N.CNC(=O)c1ccccc1Nc1c(C(F)(F)F)cnc2c1cc(-c1ccc(N3CCOCC3)nc1)n2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)c(C(F)(F)F)cnc21
• InChI: InChI=1S/C31H37F3N6O3Si.C23H28ClF3N4O2Si.C8H10N2O/c1-35-30(41)22-7-5-6-8-25(22)38-28-23-17-26(21-9-10-27(36-18-21)39-11-13-42-14-12-39)40(20-43-15-16-44(2,3)4)29(23)37-19-24(28)31(32,33)34;1-34(2,3)11-10-33-15-31-19(12-17-21(24)18(23(25,26)27)14-29-22(17)31)16-4-5-20(28-13-16)30-6-8-32-9-7-30;1-10-8(11)6-4-2-3-5-7(6)9/h5-10,17-19H,11-16,20H2,1-4H3,(H,35,41)(H,37,38);4-5,12-14H,6-11,15H2,1-3H3;2-5H,9H2,1H3,(H,10,11)
• InChIKey: AXAMRNWAZQPSTI-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 201.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.97
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide?

The IUPAC name of 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide (CID 157257258) is 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide.

What is the SMILES notation for 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide?

The canonical SMILES for 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide is CNC(=O)c1ccccc1N.CNC(=O)c1ccccc1Nc1c(C(F)(F)F)cnc2c1cc(-c1ccc(N3CCOCC3)nc1)n2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)c(C(F)(F)F)cnc21.

What is the InChIKey of 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide?

The InChIKey is AXAMRNWAZQPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N6O3Si.C23H28ClF3N4O2Si.C8H10N2O/c1-35-30(41)22-7-5-6-8-25(22)38-28-23-17-26(21-9-10-27(36-18-21)39-11-13-42-14-12-39)40(20-43-15-16-44(2,3)4)29(23)37-19-24(28)31(32,33)34;1-34(2,3)11-10-33-15-31-19(12-17-21(24)18(23(25,26)27)14-29-22(17)31)16-4-5-20(28-13-16)30-6-8-32-9-7-30;1-10-8(11)6-4-2-3-5-7(6)9/h5-10,17-19H,11-16,20H2,1-4H3,(H,35,41)(H,37,38);4-5,12-14H,6-11,15H2,1-3H3;2-5H,9H2,1H3,(H,10,11).

What are the key properties of 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide?

2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide has a molecular weight of 1289.97 g/mol, XLogP of 12.92, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide is sourced from PubChem (CID 157257258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).