3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate

C107H108Br2F10IN21O8 — CID 157223474

About 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate

3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate (PubChem CID 157223474) has the molecular formula C107H108Br2F10IN21O8 and a molecular weight of 2302.93 g/mol. Its IUPAC name is 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate.

Molecular Properties

• Compound Name: 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate
• PubChem CID: 157223474
• Molecular Formula: C107H108Br2F10IN21O8
• Molecular Weight: 2302.93 g/mol
• Exact Mass: 2299.66
• IUPAC Name: 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate
• SMILES: Brc1cnc2c(n1)CC=C2.[2H]C([2H])(C1CCC(F)(F)CC1)n1cc(-c2ccc(C(=O)O)cc2)c2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1cc(-c2ccc(C(=O)OC)cc2)c2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1cc(I)c2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1ccc2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1ccc2ncc(Br)nc21
• InChI: InChI=1S/C26H26F2N4O3.C25H24F2N4O3.C18H19F2IN4O.C18H20F2N4O.C13H14BrF2N3.C7H5BrN2/c1-15-22(16(2)35-31-15)21-12-29-23-20(18-4-6-19(7-5-18)25(33)34-3)14-32(24(23)30-21)13-17-8-10-26(27,28)11-9-17;1-14-21(15(2)34-30-14)20-11-28-22-19(17-3-5-18(6-4-17)24(32)33)13-31(23(22)29-20)12-16-7-9-25(26,27)10-8-16;1-10-15(11(2)26-24-10)14-7-22-16-13(21)9-25(17(16)23-14)8-12-3-5-18(19,20)6-4-12;1-11-16(12(2)25-23-11)15-9-21-14-5-8-24(17(14)22-15)10-13-3-6-18(19,20)7-4-13;14-11-7-17-10-3-6-19(12(10)18-11)8-9-1-4-13(15,16)5-2-9;8-7-4-9-5-2-1-3-6(5)10-7/h4-7,12,14,17H,8-11,13H2,1-3H3;3-6,11,13,16H,7-10,12H2,1-2H3,(H,32,33);7,9,12H,3-6,8H2,1-2H3;5,8-9,13H,3-4,6-7,10H2,1-2H3;3,6-7,9H,1-2,4-5,8H2;1-2,4H,3H2/i13D2;12D2;8D2;10D2;8D2
• InChIKey: ATGOLTTVYHYGCM-POECHMGSSA-N
• XLogP: 27.37
• TPSA: 347.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2302.93
LogP ≤ 5	27.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate?

The IUPAC name of 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate (CID 157223474) is 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate.

What is the SMILES notation for 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate?

The canonical SMILES for 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate is Brc1cnc2c(n1)CC=C2.[2H]C([2H])(C1CCC(F)(F)CC1)n1cc(-c2ccc(C(=O)O)cc2)c2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1cc(-c2ccc(C(=O)OC)cc2)c2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1cc(I)c2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1ccc2ncc(-c3c(C)noc3C)nc21.[2H]C([2H])(C1CCC(F)(F)CC1)n1ccc2ncc(Br)nc21.

What is the InChIKey of 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate?

The InChIKey is ATGOLTTVYHYGCM-POECHMGSSA-N. The full InChI is InChI=1S/C26H26F2N4O3.C25H24F2N4O3.C18H19F2IN4O.C18H20F2N4O.C13H14BrF2N3.C7H5BrN2/c1-15-22(16(2)35-31-15)21-12-29-23-20(18-4-6-19(7-5-18)25(33)34-3)14-32(24(23)30-21)13-17-8-10-26(27,28)11-9-17;1-14-21(15(2)34-30-14)20-11-28-22-19(17-3-5-18(6-4-17)24(32)33)13-31(23(22)29-20)12-16-7-9-25(26,27)10-8-16;1-10-15(11(2)26-24-10)14-7-22-16-13(21)9-25(17(16)23-14)8-12-3-5-18(19,20)6-4-12;1-11-16(12(2)25-23-11)15-9-21-14-5-8-24(17(14)22-15)10-13-3-6-18(19,20)7-4-13;14-11-7-17-10-3-6-19(12(10)18-11)8-9-1-4-13(15,16)5-2-9;8-7-4-9-5-2-1-3-6(5)10-7/h4-7,12,14,17H,8-11,13H2,1-3H3;3-6,11,13,16H,7-10,12H2,1-2H3,(H,32,33);7,9,12H,3-6,8H2,1-2H3;5,8-9,13H,3-4,6-7,10H2,1-2H3;3,6-7,9H,1-2,4-5,8H2;1-2,4H,3H2/i13D2;12D2;8D2;10D2;8D2;.

What are the key properties of 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate?

3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate has a molecular weight of 2302.93 g/mol, XLogP of 27.37, 18 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate is sourced from PubChem (CID 157223474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).