2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one

C75H76BClN16O8Si2 — CID 159948191

About 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one

2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one (PubChem CID 159948191) has the molecular formula C75H76BClN16O8Si2 and a molecular weight of 1431.97 g/mol. Its IUPAC name is 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one
• PubChem CID: 159948191
• Molecular Formula: C75H76BClN16O8Si2
• Molecular Weight: 1431.97 g/mol
• Exact Mass: 1430.54
• IUPAC Name: 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one
• SMILES: COc1cc(-c2ccc3c(n2)[nH]c2ccncc23)ccn1.COc1cc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)ccn1.COc1cc(B(O)O)ccn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.O=c1cc(-c2ccc3c(n2)[nH]c2ccncc23)cc[nH]1
• InChI: InChI=1S/C22H26N4O2Si.C16H20ClN3OSi.C16H12N4O.C15H10N4O.C6H8BNO3/c1-27-21-13-16(7-10-24-21)19-6-5-17-18-14-23-9-8-20(18)26(22(17)25-19)15-28-11-12-29(2,3)4;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-21-15-8-10(4-7-18-15)13-3-2-11-12-9-17-6-5-14(12)20-16(11)19-13;20-14-7-9(3-6-17-14)12-2-1-10-11-8-16-5-4-13(11)19-15(10)18-12;1-11-6-4-5(7(9)10)2-3-8-6/h5-10,13-14H,11-12,15H2,1-4H3;4-7,10H,8-9,11H2,1-3H3;2-9H,1H3,(H,19,20);1-8H,(H,17,20)(H,18,19);2-4,9-10H,1H3
• InChIKey: OBTJRBNWQMMIMO-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 302.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1431.97
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one?

The IUPAC name of 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one (CID 159948191) is 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one.

What is the SMILES notation for 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one?

The canonical SMILES for 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one is COc1cc(-c2ccc3c(n2)[nH]c2ccncc23)ccn1.COc1cc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)ccn1.COc1cc(B(O)O)ccn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.O=c1cc(-c2ccc3c(n2)[nH]c2ccncc23)cc[nH]1.

What is the InChIKey of 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one?

The InChIKey is OBTJRBNWQMMIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2Si.C16H20ClN3OSi.C16H12N4O.C15H10N4O.C6H8BNO3/c1-27-21-13-16(7-10-24-21)19-6-5-17-18-14-23-9-8-20(18)26(22(17)25-19)15-28-11-12-29(2,3)4;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-21-15-8-10(4-7-18-15)13-3-2-11-12-9-17-6-5-14(12)20-16(11)19-13;20-14-7-9(3-6-17-14)12-2-1-10-11-8-16-5-4-13(11)19-15(10)18-12;1-11-6-4-5(7(9)10)2-3-8-6/h5-10,13-14H,11-12,15H2,1-4H3;4-7,10H,8-9,11H2,1-3H3;2-9H,1H3,(H,19,20);1-8H,(H,17,20)(H,18,19);2-4,9-10H,1H3.

What are the key properties of 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one?

2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one has a molecular weight of 1431.97 g/mol, XLogP of 13.94, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2-methoxy-4-pyridinyl)boronic acid;11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1H-pyridin-2-one is sourced from PubChem (CID 159948191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).