5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid

C56H74Br2N12O15 — CID 158672255

About 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid

5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid (PubChem CID 158672255) has the molecular formula C56H74Br2N12O15 and a molecular weight of 1315.08 g/mol. Its IUPAC name is 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid
• PubChem CID: 158672255
• Molecular Formula: C56H74Br2N12O15
• Molecular Weight: 1315.08 g/mol
• Exact Mass: 1312.38
• IUPAC Name: 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid
• SMILES: C.C.CC(C)(C)OC(=O)N1CCN2C(=O)N(c3ccc(C(=O)O)nc3)CC2C1.CC(C)(C)OC(=O)N1CCN2C(=O)NCC2C1.COC(=O)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1.O=C(O)c1ccc(N2CC3CCCCN3C2=O)cn1
• InChI: InChI=1S/C17H22N4O5.C13H15N3O3.C11H19N3O3.C7H6BrNO2.C6H4BrNO2.2CH4/c1-17(2,3)26-16(25)19-6-7-20-12(9-19)10-21(15(20)24)11-4-5-13(14(22)23)18-8-11;17-12(18)11-5-4-9(7-14-11)16-8-10-3-1-2-6-15(10)13(16)19;1-11(2,3)17-10(16)13-4-5-14-8(7-13)6-12-9(14)15;1-11-7(10)6-3-2-5(8)4-9-6;7-4-1-2-5(6(9)10)8-3-4;;/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,22,23);4-5,7,10H,1-3,6,8H2,(H,17,18);8H,4-7H2,1-3H3,(H,12,15);2-4H,1H3;1-3H,(H,9,10);2*1H4
• InChIKey: IEBYYBHBTHTVBF-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 328.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.08
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid?

The IUPAC name of 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid (CID 158672255) is 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid.

What is the SMILES notation for 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid?

The canonical SMILES for 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid is C.C.CC(C)(C)OC(=O)N1CCN2C(=O)N(c3ccc(C(=O)O)nc3)CC2C1.CC(C)(C)OC(=O)N1CCN2C(=O)NCC2C1.COC(=O)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1.O=C(O)c1ccc(N2CC3CCCCN3C2=O)cn1.

What is the InChIKey of 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid?

The InChIKey is IEBYYBHBTHTVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5.C13H15N3O3.C11H19N3O3.C7H6BrNO2.C6H4BrNO2.2CH4/c1-17(2,3)26-16(25)19-6-7-20-12(9-19)10-21(15(20)24)11-4-5-13(14(22)23)18-8-11;17-12(18)11-5-4-9(7-14-11)16-8-10-3-1-2-6-15(10)13(16)19;1-11(2,3)17-10(16)13-4-5-14-8(7-13)6-12-9(14)15;1-11-7(10)6-3-2-5(8)4-9-6;7-4-1-2-5(6(9)10)8-3-4;;/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,22,23);4-5,7,10H,1-3,6,8H2,(H,17,18);8H,4-7H2,1-3H3,(H,12,15);2-4H,1H3;1-3H,(H,9,10);2*1H4.

What are the key properties of 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid?

5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid has a molecular weight of 1315.08 g/mol, XLogP of 8.29, 6 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridine-2-carboxylic acid;tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;5-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]pyridine-2-carboxylic acid;5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 158672255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).