8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C108H81BCl3F13N18O8 — CID 159968289

About 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 159968289) has the molecular formula C108H81BCl3F13N18O8 and a molecular weight of 2123.10 g/mol. Its IUPAC name is 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

• Compound Name: 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• PubChem CID: 159968289
• Molecular Formula: C108H81BCl3F13N18O8
• Molecular Weight: 2123.10 g/mol
• Exact Mass: 2120.54
• IUPAC Name: 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• SMILES: Cc1ccc(-c2nccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(-c2nccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(F)cc1.Fc1cccc(-c2ncc3c(Cl)nccn23)c1F.NCc1nccnc1Cl.O=C(NCc1nccnc1Cl)c1cccc(F)c1F.O=C(O)c1cccc(F)c1F
• InChI: InChI=1S/2C26H17F3N4O.C20H23BFNO3.C12H8ClF2N3O.C12H6ClF2N3.C7H4F2O2.C5H6ClN3/c2*1-15-5-6-16(13-20(15)26(34)32-18-9-7-17(27)8-10-18)24-22-14-31-25(33(22)12-11-30-24)19-3-2-4-21(28)23(19)29;1-13-6-7-14(21-25-19(2,3)20(4,5)26-21)12-17(13)18(24)23-16-10-8-15(22)9-11-16;13-11-9(16-4-5-17-11)6-18-12(19)7-2-1-3-8(14)10(7)15;13-11-9-6-17-12(18(9)5-4-16-11)7-2-1-3-8(14)10(7)15;8-5-3-1-2-4(6(5)9)7(10)11;6-5-4(3-7)8-1-2-9-5/h2*2-14H,1H3,(H,32,34);6-12H,1-5H3,(H,23,24);1-5H,6H2,(H,18,19);1-6H;1-3H,(H,10,11);1-2H,3,7H2
• InChIKey: OEFJPVYRHZOOLQ-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 340.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.10
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The IUPAC name of 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 159968289) is 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

What is the SMILES notation for 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The canonical SMILES for 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is Cc1ccc(-c2nccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(-c2nccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(F)cc1.Fc1cccc(-c2ncc3c(Cl)nccn23)c1F.NCc1nccnc1Cl.O=C(NCc1nccnc1Cl)c1cccc(F)c1F.O=C(O)c1cccc(F)c1F.

What is the InChIKey of 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The InChIKey is OEFJPVYRHZOOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H17F3N4O.C20H23BFNO3.C12H8ClF2N3O.C12H6ClF2N3.C7H4F2O2.C5H6ClN3/c2*1-15-5-6-16(13-20(15)26(34)32-18-9-7-17(27)8-10-18)24-22-14-31-25(33(22)12-11-30-24)19-3-2-4-21(28)23(19)29;1-13-6-7-14(21-25-19(2,3)20(4,5)26-21)12-17(13)18(24)23-16-10-8-15(22)9-11-16;13-11-9(16-4-5-17-11)6-18-12(19)7-2-1-3-8(14)10(7)15;13-11-9-6-17-12(18(9)5-4-16-11)7-2-1-3-8(14)10(7)15;8-5-3-1-2-4(6(5)9)7(10)11;6-5-4(3-7)8-1-2-9-5/h2*2-14H,1H3,(H,32,34);6-12H,1-5H3,(H,23,24);1-5H,6H2,(H,18,19);1-6H;1-3H,(H,10,11);1-2H,3,7H2.

What are the key properties of 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 2123.10 g/mol, XLogP of 23.69, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyrazin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide);N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 159968289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).