1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C139H183N25O23Si2 — CID 158485742

About 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158485742) has the molecular formula C139H183N25O23Si2 and a molecular weight of 2628.32 g/mol. Its IUPAC name is 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 158485742
• Molecular Formula: C139H183N25O23Si2
• Molecular Weight: 2628.32 g/mol
• Exact Mass: 2626.35
• IUPAC Name: 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)C3(N)CCCCC3)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4c[nH]c5ncc(C6CC6)nc45)CCCCC3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cn(COCC[Si](C)(C)C)c5ncc(C6CC6)nc45)CCCCC3)cc(=O)c(OCc3ccccc3)c2C1=O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21.NC1(C(=O)O)CCCCC1
• InChI: InChI=1S/C42H55N7O6Si.C29H35N7O5.C26H34N4O4.C19H23N3O3.C16H23N3O3Si.C7H13NO2/c1-28(2)48-18-19-49-31(22-34(50)37(36(49)40(48)52)55-26-29-12-8-6-9-13-29)23-44-41(53)42(16-10-7-11-17-42)46-39(51)32-25-47(27-54-20-21-56(3,4)5)38-35(32)45-33(24-43-38)30-14-15-30;1-16(2)35-10-11-36-18(12-21(37)24(38)23(36)27(35)40)13-32-28(41)29(8-4-3-5-9-29)34-26(39)19-14-30-25-22(19)33-20(15-31-25)17-6-7-17;1-18(2)29-13-14-30-20(16-28-25(33)26(27)11-7-4-8-12-26)15-21(31)23(22(30)24(29)32)34-17-19-9-5-3-6-10-19;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;1-23(2,3)7-6-22-10-19-9-12(16(20)21)14-15(19)17-8-13(18-14)11-4-5-11;8-7(6(9)10)4-2-1-3-5-7/h6,8-9,12-13,22,24-25,28,30H,7,10-11,14-21,23,26-27H2,1-5H3,(H,44,53)(H,46,51);12,14-17,38H,3-11,13H2,1-2H3,(H,30,31)(H,32,41)(H,34,39);3,5-6,9-10,15,18H,4,7-8,11-14,16-17,27H2,1-2H3,(H,28,33);3-7,10,13H,8-9,11-12,20H2,1-2H3;8-9,11H,4-7,10H2,1-3H3,(H,20,21);1-5,8H2,(H,9,10)
• InChIKey: HIBQCLGLLWMFRU-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 636.77 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2628.32
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 158485742) is 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)C3(N)CCCCC3)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4c[nH]c5ncc(C6CC6)nc45)CCCCC3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cn(COCC[Si](C)(C)C)c5ncc(C6CC6)nc45)CCCCC3)cc(=O)c(OCc3ccccc3)c2C1=O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21.NC1(C(=O)O)CCCCC1.

What is the InChIKey of 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is HIBQCLGLLWMFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55N7O6Si.C29H35N7O5.C26H34N4O4.C19H23N3O3.C16H23N3O3Si.C7H13NO2/c1-28(2)48-18-19-49-31(22-34(50)37(36(49)40(48)52)55-26-29-12-8-6-9-13-29)23-44-41(53)42(16-10-7-11-17-42)46-39(51)32-25-47(27-54-20-21-56(3,4)5)38-35(32)45-33(24-43-38)30-14-15-30;1-16(2)35-10-11-36-18(12-21(37)24(38)23(36)27(35)40)13-32-28(41)29(8-4-3-5-9-29)34-26(39)19-14-30-25-22(19)33-20(15-31-25)17-6-7-17;1-18(2)29-13-14-30-20(16-28-25(33)26(27)11-7-4-8-12-26)15-21(31)23(22(30)24(29)32)34-17-19-9-5-3-6-10-19;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;1-23(2,3)7-6-22-10-19-9-12(16(20)21)14-15(19)17-8-13(18-14)11-4-5-11;8-7(6(9)10)4-2-1-3-5-7/h6,8-9,12-13,22,24-25,28,30H,7,10-11,14-21,23,26-27H2,1-5H3,(H,44,53)(H,46,51);12,14-17,38H,3-11,13H2,1-2H3,(H,30,31)(H,32,41)(H,34,39);3,5-6,9-10,15,18H,4,7-8,11-14,16-17,27H2,1-2H3,(H,28,33);3-7,10,13H,8-9,11-12,20H2,1-2H3;8-9,11H,4-7,10H2,1-3H3,(H,20,21);1-5,8H2,(H,9,10).

What are the key properties of 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 2628.32 g/mol, XLogP of 16.66, 42 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-aminocyclohexane-1-carboxylic acid;1-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide;6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158485742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).