2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

C69H79BClN15O7Si2 — CID 160628264

About 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (PubChem CID 160628264) has the molecular formula C69H79BClN15O7Si2 and a molecular weight of 1332.93 g/mol. Its IUPAC name is 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
• PubChem CID: 160628264
• Molecular Formula: C69H79BClN15O7Si2
• Molecular Weight: 1332.93 g/mol
• Exact Mass: 1331.56
• IUPAC Name: 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cnccc23)cn1.CNC(=O)c1ccc(-c2ccc3c4ccncc4n(COCC[Si](C)(C)C)c3n2)cn1.CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1c2cnccc2c2ccc(Cl)nc21
• InChI: InChI=1S/C23H27N5O2Si.C17H13N5O.C16H20ClN3OSi.C13H19BN2O3/c1-24-23(29)20-7-5-16(13-26-20)19-8-6-18-17-9-10-25-14-21(17)28(22(18)27-19)15-30-11-12-31(2,3)4;1-18-17(23)14-4-2-10(8-20-14)13-5-3-12-11-6-7-19-9-15(11)22-16(12)21-13;1-22(2,3)9-8-21-11-20-14-10-18-7-6-12(14)13-4-5-15(17)19-16(13)20;1-12(2)13(3,4)19-14(18-12)9-6-7-10(16-8-9)11(17)15-5/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,29);2-9H,1H3,(H,18,23)(H,21,22);4-7,10H,8-9,11H2,1-3H3;6-8H,1-5H3,(H,15,17)
• InChIKey: RHOYYOSQYQMGKV-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 265.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1332.93
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The IUPAC name of 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (CID 160628264) is 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.

What is the SMILES notation for 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The canonical SMILES for 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cnccc23)cn1.CNC(=O)c1ccc(-c2ccc3c4ccncc4n(COCC[Si](C)(C)C)c3n2)cn1.CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1c2cnccc2c2ccc(Cl)nc21.

What is the InChIKey of 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The InChIKey is RHOYYOSQYQMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2Si.C17H13N5O.C16H20ClN3OSi.C13H19BN2O3/c1-24-23(29)20-7-5-16(13-26-20)19-8-6-18-17-9-10-25-14-21(17)28(22(18)27-19)15-30-11-12-31(2,3)4;1-18-17(23)14-4-2-10(8-20-14)13-5-3-12-11-6-7-19-9-15(11)22-16(12)21-13;1-22(2,3)9-8-21-11-20-14-10-18-7-6-12(14)13-4-5-15(17)19-16(13)20;1-12(2)13(3,4)19-14(18-12)9-6-7-10(16-8-9)11(17)15-5/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,29);2-9H,1H3,(H,18,23)(H,21,22);4-7,10H,8-9,11H2,1-3H3;6-8H,1-5H3,(H,15,17).

What are the key properties of 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide has a molecular weight of 1332.93 g/mol, XLogP of 12.14, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-methyl-5-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is sourced from PubChem (CID 160628264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).