tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid

C143H143ClN22O21 — CID 159700532

About tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid

tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid (PubChem CID 159700532) has the molecular formula C143H143ClN22O21 and a molecular weight of 2541.30 g/mol. Its IUPAC name is tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid.

Molecular Properties

• Compound Name: tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid
• PubChem CID: 159700532
• Molecular Formula: C143H143ClN22O21
• Molecular Weight: 2541.30 g/mol
• Exact Mass: 2539.05
• IUPAC Name: tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid
• SMILES: CC(C)(C)OC(=O)CCCCc1nc2cc(C(=O)O)ncc2nc1-c1ccccc1.CC(NC(=O)c1cc2nc(CCCCC(=O)O)c(-c3ccccc3)nc2cn1)c1ccccc1.CC(NC(=O)c1cc2nc(CCCCC(=O)OC(C)(C)C)c(-c3ccccc3)nc2cn1)c1ccccc1.COC(=O)c1cc(N)c(N)cn1.COC(=O)c1cc2c(cn1)N=C(c1ccccc1)C(=O)C2.COC(=O)c1cc2nc(CCCCC(=O)OC(C)(C)C)c(-c3ccccc3)nc2cn1.COC(=O)c1cc2nc(Cl)c(-c3ccccc3)nc2cn1
• InChI: InChI=1S/C31H34N4O3.C27H26N4O3.C24H27N3O4.C23H25N3O4.C16H12N2O3.C15H10ClN3O2.C7H9N3O2/c1-21(22-13-7-5-8-14-22)33-30(37)26-19-25-27(20-32-26)35-29(23-15-9-6-10-16-23)24(34-25)17-11-12-18-28(36)38-31(2,3)4;1-18(19-10-4-2-5-11-19)29-27(34)23-16-22-24(17-28-23)31-26(20-12-6-3-7-13-20)21(30-22)14-8-9-15-25(32)33;1-24(2,3)31-21(28)13-9-8-12-17-22(16-10-6-5-7-11-16)27-20-15-25-19(23(29)30-4)14-18(20)26-17;1-23(2,3)30-20(27)12-8-7-11-16-21(15-9-5-4-6-10-15)26-19-14-24-18(22(28)29)13-17(19)25-16;1-21-16(20)12-7-11-8-14(19)15(18-13(11)9-17-12)10-5-3-2-4-6-10;1-21-15(20)11-7-10-12(8-17-11)18-13(14(16)19-10)9-5-3-2-4-6-9;1-12-7(11)6-2-4(8)5(9)3-10-6/h5-10,13-16,19-21H,11-12,17-18H2,1-4H3,(H,33,37);2-7,10-13,16-18H,8-9,14-15H2,1H3,(H,29,34)(H,32,33);5-7,10-11,14-15H,8-9,12-13H2,1-4H3;4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,28,29);2-7,9H,8H2,1H3;2-8H,1H3;2-3H,9H2,1H3,(H2,8,10)
• InChIKey: MXOGGLGKUWWKLT-UHFFFAOYSA-N
• XLogP: 25.47
• TPSA: 617.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2541.30
LogP ≤ 5	25.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid?

The IUPAC name of tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid (CID 159700532) is tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid.

What is the SMILES notation for tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid?

The canonical SMILES for tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid is CC(C)(C)OC(=O)CCCCc1nc2cc(C(=O)O)ncc2nc1-c1ccccc1.CC(NC(=O)c1cc2nc(CCCCC(=O)O)c(-c3ccccc3)nc2cn1)c1ccccc1.CC(NC(=O)c1cc2nc(CCCCC(=O)OC(C)(C)C)c(-c3ccccc3)nc2cn1)c1ccccc1.COC(=O)c1cc(N)c(N)cn1.COC(=O)c1cc2c(cn1)N=C(c1ccccc1)C(=O)C2.COC(=O)c1cc2nc(CCCCC(=O)OC(C)(C)C)c(-c3ccccc3)nc2cn1.COC(=O)c1cc2nc(Cl)c(-c3ccccc3)nc2cn1.

What is the InChIKey of tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid?

The InChIKey is MXOGGLGKUWWKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3.C27H26N4O3.C24H27N3O4.C23H25N3O4.C16H12N2O3.C15H10ClN3O2.C7H9N3O2/c1-21(22-13-7-5-8-14-22)33-30(37)26-19-25-27(20-32-26)35-29(23-15-9-6-10-16-23)24(34-25)17-11-12-18-28(36)38-31(2,3)4;1-18(19-10-4-2-5-11-19)29-27(34)23-16-22-24(17-28-23)31-26(20-12-6-3-7-13-20)21(30-22)14-8-9-15-25(32)33;1-24(2,3)31-21(28)13-9-8-12-17-22(16-10-6-5-7-11-16)27-20-15-25-19(23(29)30-4)14-18(20)26-17;1-23(2,3)30-20(27)12-8-7-11-16-21(15-9-5-4-6-10-15)26-19-14-24-18(22(28)29)13-17(19)25-16;1-21-16(20)12-7-11-8-14(19)15(18-13(11)9-17-12)10-5-3-2-4-6-10;1-21-15(20)11-7-10-12(8-17-11)18-13(14(16)19-10)9-5-3-2-4-6-9;1-12-7(11)6-2-4(8)5(9)3-10-6/h5-10,13-16,19-21H,11-12,17-18H2,1-4H3,(H,33,37);2-7,10-13,16-18H,8-9,14-15H2,1H3,(H,29,34)(H,32,33);5-7,10-11,14-15H,8-9,12-13H2,1-4H3;4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,28,29);2-7,9H,8H2,1H3;2-8H,1H3;2-3H,9H2,1H3,(H2,8,10).

What are the key properties of tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid?

tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid has a molecular weight of 2541.30 g/mol, XLogP of 25.47, 37 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid is sourced from PubChem (CID 159700532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).