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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C72H91B2ClF3N17O6Si2 — CID 159853375

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 159853375) has the molecular formula C72H91B2ClF3N17O6Si2 and a molecular weight of 1460.88 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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 159853375
• Molecular Formula: C72H91B2ClF3N17O6Si2
• Molecular Weight: 1460.88 g/mol
• Exact Mass: 1459.67
• 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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCF)c2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3cnn(CCF)c3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.FCCn1cc(-c2ccc3c(n2)[nH]c2ccncc23)cn1
• InChI: InChI=1S/C21H26FN5OSi.C16H20ClN3OSi.C15H12FN5.C11H18BFN2O2.C9H15BN2O2/c1-29(2,3)11-10-28-15-27-20-6-8-23-13-18(20)17-4-5-19(25-21(17)27)16-12-24-26(14-16)9-7-22;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;16-4-6-21-9-10(7-18-21)13-2-1-11-12-8-17-5-3-14(12)20-15(11)19-13;1-10(2)11(3,4)17-12(16-10)9-7-14-15(8-9)6-5-13;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h4-6,8,12-14H,7,9-11,15H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;1-3,5,7-9H,4,6H2,(H,19,20);7-8H,5-6H2,1-4H3;5-6H,1-4H3,(H,11,12)
• InChIKey: NQFLHINBSFHSDG-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 240.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.88
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	2
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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 159853375) 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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCF)c2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3cnn(CCF)c3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.FCCn1cc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is NQFLHINBSFHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5OSi.C16H20ClN3OSi.C15H12FN5.C11H18BFN2O2.C9H15BN2O2/c1-29(2,3)11-10-28-15-27-20-6-8-23-13-18(20)17-4-5-19(25-21(17)27)16-12-24-26(14-16)9-7-22;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;16-4-6-21-9-10(7-18-21)13-2-1-11-12-8-17-5-3-14(12)20-15(11)19-13;1-10(2)11(3,4)17-12(16-10)9-7-14-15(8-9)6-5-13;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h4-6,8,12-14H,7,9-11,15H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;1-3,5,7-9H,4,6H2,(H,19,20);7-8H,5-6H2,1-4H3;5-6H,1-4H3,(H,11,12).

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1460.88 g/mol, XLogP of 14.08, 20 rotatable bonds, 2 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;11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[11-[1-(2-fluoroethyl)pyrazol-4-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane;1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 159853375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).