6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine

C92H128F2N14O24 — CID 161477653

About 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine

6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine (PubChem CID 161477653) has the molecular formula C92H128F2N14O24 and a molecular weight of 1852.11 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine.

Molecular Properties

• Compound Name: 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine
• PubChem CID: 161477653
• Molecular Formula: C92H128F2N14O24
• Molecular Weight: 1852.11 g/mol
• Exact Mass: 1850.92
• IUPAC Name: 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine
• SMILES: CC(C)(C)N.CC(C)(C)NC(=O)C(=O)c1cc(C(=O)O)c2n1CCN(C(=O)OC(C)(C)C)C2.COC(=O)c1cc(C(=O)C(=O)NC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2.COC(=O)c1cc(C(=O)C(=O)O)n2c1CN(C(=O)OC(C)(C)C)CC2.Cc1cc(N)ccc1F.Cc1cc(NC(=O)c2cc(C(=O)C(=O)NC(C)(C)C)n3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F
• InChI: InChI=1S/C26H33FN4O5.C20H29N3O6.C19H27N3O6.C16H20N2O7.C7H8FN.C4H11N/c1-15-12-16(8-9-18(15)27)28-22(33)17-13-19(21(32)23(34)29-25(2,3)4)31-11-10-30(14-20(17)31)24(35)36-26(5,6)7;1-19(2,3)21-16(25)15(24)13-10-12(17(26)28-7)14-11-22(8-9-23(13)14)18(27)29-20(4,5)6;1-18(2,3)20-15(24)14(23)12-9-11(16(25)26)13-10-21(7-8-22(12)13)17(27)28-19(4,5)6;1-16(2,3)25-15(23)17-5-6-18-10(12(19)13(20)21)7-9(11(18)8-17)14(22)24-4;1-5-4-6(9)2-3-7(5)8;1-4(2,3)5/h8-9,12-13H,10-11,14H2,1-7H3,(H,28,33)(H,29,34);10H,8-9,11H2,1-7H3,(H,21,25);9H,7-8,10H2,1-6H3,(H,20,24)(H,25,26);7H,5-6,8H2,1-4H3,(H,20,21);2-4H,9H2,1H3;5H2,1-3H3
• InChIKey: WDXSZILQLGVLDP-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 501.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.11
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

The IUPAC name of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine (CID 161477653) is 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine.

What is the SMILES notation for 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

The canonical SMILES for 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine is CC(C)(C)N.CC(C)(C)NC(=O)C(=O)c1cc(C(=O)O)c2n1CCN(C(=O)OC(C)(C)C)C2.COC(=O)c1cc(C(=O)C(=O)NC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2.COC(=O)c1cc(C(=O)C(=O)O)n2c1CN(C(=O)OC(C)(C)C)CC2.Cc1cc(N)ccc1F.Cc1cc(NC(=O)c2cc(C(=O)C(=O)NC(C)(C)C)n3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F.

What is the InChIKey of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

The InChIKey is WDXSZILQLGVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O5.C20H29N3O6.C19H27N3O6.C16H20N2O7.C7H8FN.C4H11N/c1-15-12-16(8-9-18(15)27)28-22(33)17-13-19(21(32)23(34)29-25(2,3)4)31-11-10-30(14-20(17)31)24(35)36-26(5,6)7;1-19(2,3)21-16(25)15(24)13-10-12(17(26)28-7)14-11-22(8-9-23(13)14)18(27)29-20(4,5)6;1-18(2,3)20-15(24)14(23)12-9-11(16(25)26)13-10-21(7-8-22(12)13)17(27)28-19(4,5)6;1-16(2,3)25-15(23)17-5-6-18-10(12(19)13(20)21)7-9(11(18)8-17)14(22)24-4;1-5-4-6(9)2-3-7(5)8;1-4(2,3)5/h8-9,12-13H,10-11,14H2,1-7H3,(H,28,33)(H,29,34);10H,8-9,11H2,1-7H3,(H,21,25);9H,7-8,10H2,1-6H3,(H,20,24)(H,25,26);7H,5-6,8H2,1-4H3,(H,20,21);2-4H,9H2,1H3;5H2,1-3H3.

What are the key properties of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine has a molecular weight of 1852.11 g/mol, XLogP of 11.95, 13 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;tert-butyl 6-[2-(tert-butylamino)-2-oxoacetyl]-8-[(4-fluoro-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine is sourced from PubChem (CID 161477653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).