4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)

C112H134Cl4F4N16O13Si2 — CID 158068276

About 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)

4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide) (PubChem CID 158068276) has the molecular formula C112H134Cl4F4N16O13Si2 and a molecular weight of 2186.38 g/mol. Its IUPAC name is 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide).

Molecular Properties

• Compound Name: 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)
• PubChem CID: 158068276
• Molecular Formula: C112H134Cl4F4N16O13Si2
• Molecular Weight: 2186.38 g/mol
• Exact Mass: 2182.85
• IUPAC Name: 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)
• SMILES: CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)O)c(F)c3)n2)C1.N[C@H](CO)c1cccc(Cl)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1
• InChI: InChI=1S/C31H40ClFN4O3Si.2C25H26ClFN4O3.C23H32FN3O3Si.C8H10ClNO/c1-31(2,3)41(4,5)40-23-11-7-9-20(15-23)26-17-35-29(34)28(36-26)21-12-13-24(25(33)16-21)30(39)37-27(18-38)19-8-6-10-22(32)14-19;2*26-17-5-1-3-14(9-17)22(13-32)31-25(34)19-8-7-16(11-20(19)27)23-24(28)29-12-21(30-23)15-4-2-6-18(33)10-15;1-23(2,3)31(4,5)30-16-8-6-7-14(11-16)19-13-26-21(25)20(27-19)15-9-10-17(22(28)29)18(24)12-15;9-7-3-1-2-6(4-7)8(10)5-11/h6,8,10,12-14,16-17,20,23,27,38H,7,9,11,15,18H2,1-5H3,(H2,34,35)(H,37,39);2*1,3,5,7-9,11-12,15,18,22,32-33H,2,4,6,10,13H2,(H2,28,29)(H,31,34);9-10,12-14,16H,6-8,11H2,1-5H3,(H2,25,26)(H,28,29);1-4,8,11H,5,10H2/t20?,23?,27-;2*15?,18?,22-;;8-/m111.1/s1
• InChIKey: FLMSROJEFFFCEQ-QNZRVCAMSA-N
• XLogP: 21.97
• TPSA: 497.66 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.38
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)?

The IUPAC name of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide) (CID 158068276) is 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide).

What is the SMILES notation for 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)?

The canonical SMILES for 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide) is CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)O)c(F)c3)n2)C1.N[C@H](CO)c1cccc(Cl)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.

What is the InChIKey of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)?

The InChIKey is FLMSROJEFFFCEQ-QNZRVCAMSA-N. The full InChI is InChI=1S/C31H40ClFN4O3Si.2C25H26ClFN4O3.C23H32FN3O3Si.C8H10ClNO/c1-31(2,3)41(4,5)40-23-11-7-9-20(15-23)26-17-35-29(34)28(36-26)21-12-13-24(25(33)16-21)30(39)37-27(18-38)19-8-6-10-22(32)14-19;2*26-17-5-1-3-14(9-17)22(13-32)31-25(34)19-8-7-16(11-20(19)27)23-24(28)29-12-21(30-23)15-4-2-6-18(33)10-15;1-23(2,3)31(4,5)30-16-8-6-7-14(11-16)19-13-26-21(25)20(27-19)15-9-10-17(22(28)29)18(24)12-15;9-7-3-1-2-6(4-7)8(10)5-11/h6,8,10,12-14,16-17,20,23,27,38H,7,9,11,15,18H2,1-5H3,(H2,34,35)(H,37,39);2*1,3,5,7-9,11-12,15,18,22,32-33H,2,4,6,10,13H2,(H2,28,29)(H,31,34);9-10,12-14,16H,6-8,11H2,1-5H3,(H2,25,26)(H,28,29);1-4,8,11H,5,10H2/t20?,23?,27-;2*15?,18?,22-;;8-/m111.1/s1.

What are the key properties of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)?

4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide) has a molecular weight of 2186.38 g/mol, XLogP of 21.97, 27 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide) is sourced from PubChem (CID 158068276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).