2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane

C78H111BrN12O3Si3 — CID 157169927

About 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane

2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane (PubChem CID 157169927) has the molecular formula C78H111BrN12O3Si3 and a molecular weight of 1428.99 g/mol. Its IUPAC name is 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane.

Molecular Properties

• Compound Name: 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane
• PubChem CID: 157169927
• Molecular Formula: C78H111BrN12O3Si3
• Molecular Weight: 1428.99 g/mol
• Exact Mass: 1426.74
• IUPAC Name: 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane
• SMILES: C#CCC1CCCCC1.C[Si](C)(C)CCOCn1ccc2c1ncc1ccc(C3CCCCC3)n12.C[Si](C)(C)CCOCn1ccc2nc(Br)cnc21.C[Si](C)(C)CCOCn1ccc2nc(C#CCC3CCCCC3)cnc21.c1cc2c(ncc3ccc(C4CCCCC4)n32)[nH]1
• InChI: InChI=1S/2C21H31N3OSi.C15H17N3.C12H18BrN3OSi.C9H14/c1-26(2,3)14-13-25-16-23-12-11-20-21(23)22-15-18-9-10-19(24(18)20)17-7-5-4-6-8-17;1-26(2,3)15-14-25-17-24-13-12-20-21(24)22-16-19(23-20)11-7-10-18-8-5-4-6-9-18;1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15;1-18(2,3)7-6-17-9-16-5-4-10-12(16)14-8-11(13)15-10;1-2-6-9-7-4-3-5-8-9/h9-12,15,17H,4-8,13-14,16H2,1-3H3;12-13,16,18H,4-6,8-10,14-15,17H2,1-3H3;6-11,16H,1-5H2;4-5,8H,6-7,9H2,1-3H3;1,9H,3-8H2
• InChIKey: ANIPWWNBANIQGG-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 144.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.99
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane?

The IUPAC name of 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane (CID 157169927) is 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane.

What is the SMILES notation for 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane?

The canonical SMILES for 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane is C#CCC1CCCCC1.C[Si](C)(C)CCOCn1ccc2c1ncc1ccc(C3CCCCC3)n12.C[Si](C)(C)CCOCn1ccc2nc(Br)cnc21.C[Si](C)(C)CCOCn1ccc2nc(C#CCC3CCCCC3)cnc21.c1cc2c(ncc3ccc(C4CCCCC4)n32)[nH]1.

What is the InChIKey of 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane?

The InChIKey is ANIPWWNBANIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H31N3OSi.C15H17N3.C12H18BrN3OSi.C9H14/c1-26(2,3)14-13-25-16-23-12-11-20-21(23)22-15-18-9-10-19(24(18)20)17-7-5-4-6-8-17;1-26(2,3)15-14-25-17-24-13-12-20-21(24)22-16-19(23-20)11-7-10-18-8-5-4-6-9-18;1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15;1-18(2,3)7-6-17-9-16-5-4-10-12(16)14-8-11(13)15-10;1-2-6-9-7-4-3-5-8-9/h9-12,15,17H,4-8,13-14,16H2,1-3H3;12-13,16,18H,4-6,8-10,14-15,17H2,1-3H3;6-11,16H,1-5H2;4-5,8H,6-7,9H2,1-3H3;1,9H,3-8H2.

What are the key properties of 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane?

2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane has a molecular weight of 1428.99 g/mol, XLogP of 20.67, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-bromopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane;2-[[2-(3-cyclohexylprop-1-ynyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[(12-cyclohexyl-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane;prop-2-ynylcyclohexane is sourced from PubChem (CID 157169927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).