2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C127H167N25O23Si2 — CID 157416941

About 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 157416941) has the molecular formula C127H167N25O23Si2 and a molecular weight of 2468.06 g/mol. Its IUPAC name is 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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: 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 157416941
• Molecular Formula: C127H167N25O23Si2
• Molecular Weight: 2468.06 g/mol
• Exact Mass: 2466.22
• IUPAC Name: 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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.CCC(N)C(=O)NCc1cc(=O)c(OCc2ccccc2)c2n1CCN(C(C)C)C2=O.CCC(N)C(=O)O.CCC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)NCc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O.CCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)NCc1cc(=O)c(OCc2ccccc2)c2n1CCN(C(C)C)C2=O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21
• InChI: InChI=1S/C39H51N7O6Si.C26H31N7O5.C23H30N4O4.C19H23N3O3.C16H23N3O3Si.C4H9NO2/c1-7-30(43-37(48)29-22-44(24-51-17-18-53(4,5)6)36-33(29)42-31(21-40-36)27-13-14-27)38(49)41-20-28-19-32(47)35(52-23-26-11-9-8-10-12-26)34-39(50)45(25(2)3)15-16-46(28)34;1-4-17(31-24(36)16-11-27-23-20(16)30-18(12-28-23)14-5-6-14)25(37)29-10-15-9-19(34)22(35)21-26(38)32(13(2)3)7-8-33(15)21;1-4-18(24)22(29)25-13-17-12-19(28)21(31-14-16-8-6-5-7-9-16)20-23(30)26(15(2)3)10-11-27(17)20;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;1-2-3(5)4(6)7/h8-12,19,21-22,25,27,30H,7,13-18,20,23-24H2,1-6H3,(H,41,49)(H,43,48);9,11-14,17,35H,4-8,10H2,1-3H3,(H,27,28)(H,29,37)(H,31,36);5-9,12,15,18H,4,10-11,13-14,24H2,1-3H3,(H,25,29);3-7,10,13H,8-9,11-12,20H2,1-2H3;8-9,11H,4-7,10H2,1-3H3,(H,20,21);3H,2,5H2,1H3,(H,6,7)
• InChIKey: BOYOEZFHDWALHX-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 636.77 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 46
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2468.06
LogP ≤ 5	12.97
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 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 157416941) is 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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.CCC(N)C(=O)NCc1cc(=O)c(OCc2ccccc2)c2n1CCN(C(C)C)C2=O.CCC(N)C(=O)O.CCC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)NCc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O.CCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)NCc1cc(=O)c(OCc2ccccc2)c2n1CCN(C(C)C)C2=O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21.

What is the InChIKey of 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is BOYOEZFHDWALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51N7O6Si.C26H31N7O5.C23H30N4O4.C19H23N3O3.C16H23N3O3Si.C4H9NO2/c1-7-30(43-37(48)29-22-44(24-51-17-18-53(4,5)6)36-33(29)42-31(21-40-36)27-13-14-27)38(49)41-20-28-19-32(47)35(52-23-26-11-9-8-10-12-26)34-39(50)45(25(2)3)15-16-46(28)34;1-4-17(31-24(36)16-11-27-23-20(16)30-18(12-28-23)14-5-6-14)25(37)29-10-15-9-19(34)22(35)21-26(38)32(13(2)3)7-8-33(15)21;1-4-18(24)22(29)25-13-17-12-19(28)21(31-14-16-8-6-5-7-9-16)20-23(30)26(15(2)3)10-11-27(17)20;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;1-2-3(5)4(6)7/h8-12,19,21-22,25,27,30H,7,13-18,20,23-24H2,1-6H3,(H,41,49)(H,43,48);9,11-14,17,35H,4-8,10H2,1-3H3,(H,27,28)(H,29,37)(H,31,36);5-9,12,15,18H,4,10-11,13-14,24H2,1-3H3,(H,25,29);3-7,10,13H,8-9,11-12,20H2,1-2H3;8-9,11H,4-7,10H2,1-3H3,(H,20,21);3H,2,5H2,1H3,(H,6,7).

What are the key properties of 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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 2468.06 g/mol, XLogP of 12.97, 46 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminobutanoic acid;2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide;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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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 157416941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).