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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane

C75H91BClN15O7Si2 — CID 161389668

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane (PubChem CID 161389668) has the molecular formula C75H91BClN15O7Si2 and a molecular weight of 1417.09 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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane.

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane
• PubChem CID: 161389668
• Molecular Formula: C75H91BClN15O7Si2
• Molecular Weight: 1417.09 g/mol
• Exact Mass: 1415.65
• 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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane
• SMILES: CC1(C)OB(c2ccc(N3CCOCC3)nc2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3ccc(N4CCOCC4)nc3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.c1cc2[nH]c3nc(-c4ccc(N5CCOCC5)nc4)ccc3c2cn1
• InChI: InChI=1S/C25H31N5O2Si.C19H17N5O.C16H20ClN3OSi.C15H23BN2O3/c1-33(2,3)15-14-32-18-30-23-8-9-26-17-21(23)20-5-6-22(28-25(20)30)19-4-7-24(27-16-19)29-10-12-31-13-11-29;1-4-18(24-7-9-25-10-8-24)21-11-13(1)16-3-2-14-15-12-20-6-5-17(15)23-19(14)22-16;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;1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h4-9,16-17H,10-15,18H2,1-3H3;1-6,11-12H,7-10H2,(H,22,23);4-7,10H,8-9,11H2,1-3H3;5-6,11H,7-10H2,1-4H3
• InChIKey: VSUXPFYOOCDFFF-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 215.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1417.09
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	1
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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane (CID 161389668) 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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane.

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc(N3CCOCC3)nc2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3ccc(N4CCOCC4)nc3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.c1cc2[nH]c3nc(-c4ccc(N5CCOCC5)nc4)ccc3c2cn1.

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

The InChIKey is VSUXPFYOOCDFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2Si.C19H17N5O.C16H20ClN3OSi.C15H23BN2O3/c1-33(2,3)15-14-32-18-30-23-8-9-26-17-21(23)20-5-6-22(28-25(20)30)19-4-7-24(27-16-19)29-10-12-31-13-11-29;1-4-18(24-7-9-25-10-8-24)21-11-13(1)16-3-2-14-15-12-20-6-5-17(15)23-19(14)22-16;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;1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h4-9,16-17H,10-15,18H2,1-3H3;1-6,11-12H,7-10H2,(H,22,23);4-7,10H,8-9,11H2,1-3H3;5-6,11H,7-10H2,1-4H3.

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane has a molecular weight of 1417.09 g/mol, XLogP of 13.57, 16 rotatable bonds, 1 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;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[11-(6-morpholin-4-yl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane is sourced from PubChem (CID 161389668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).