8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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

C113H86BCl3F13N13O8 — CID 161265185

About 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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 161265185) has the molecular formula C113H86BCl3F13N13O8 and a molecular weight of 2118.16 g/mol. Its IUPAC name is 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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: 161265185
• Molecular Formula: C113H86BCl3F13N13O8
• Molecular Weight: 2118.16 g/mol
• Exact Mass: 2115.57
• IUPAC Name: 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(-c2cccn3c(-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)cccn23)c1F.NCc1ncccc1Cl.O=C(NCc1ncccc1Cl)c1cccc(F)c1F.O=C(O)c1cccc(F)c1F
• InChI: InChI=1S/2C27H18F3N3O.C20H23BFNO3.C13H9ClF2N2O.C13H7ClF2N2.C7H4F2O2.C6H7ClN2/c2*1-16-7-8-17(14-22(16)27(34)32-19-11-9-18(28)10-12-19)20-5-3-13-33-24(20)15-31-26(33)21-4-2-6-23(29)25(21)30;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;14-9-4-2-6-17-11(9)7-18-13(19)8-3-1-5-10(15)12(8)16;14-9-4-2-6-18-11(9)7-17-13(18)8-3-1-5-10(15)12(8)16;8-5-3-1-2-4(6(5)9)7(10)11;7-5-2-1-3-9-6(5)4-8/h2*2-15H,1H3,(H,32,34);6-12H,1-5H3,(H,23,24);1-6H,7H2,(H,18,19);1-7H;1-3H,(H,10,11);1-3H,4,8H2
• InChIKey: VDBXFTYXDSCVRD-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 275.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.16
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

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]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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 161265185) is 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(-c2cccn3c(-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)cccn23)c1F.NCc1ncccc1Cl.O=C(NCc1ncccc1Cl)c1cccc(F)c1F.O=C(O)c1cccc(F)c1F.

What is the InChIKey of 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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 VDBXFTYXDSCVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H18F3N3O.C20H23BFNO3.C13H9ClF2N2O.C13H7ClF2N2.C7H4F2O2.C6H7ClN2/c2*1-16-7-8-17(14-22(16)27(34)32-19-11-9-18(28)10-12-19)20-5-3-13-33-24(20)15-31-26(33)21-4-2-6-23(29)25(21)30;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;14-9-4-2-6-17-11(9)7-18-13(19)8-3-1-5-10(15)12(8)16;14-9-4-2-6-18-11(9)7-17-13(18)8-3-1-5-10(15)12(8)16;8-5-3-1-2-4(6(5)9)7(10)11;7-5-2-1-3-9-6(5)4-8/h2*2-15H,1H3,(H,32,34);6-12H,1-5H3,(H,23,24);1-6H,7H2,(H,18,19);1-7H;1-3H,(H,10,11);1-3H,4,8H2.

What are the key properties of 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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 2118.16 g/mol, XLogP of 26.71, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;N-[(3-chloro-2-pyridinyl)methyl]-2,3-difluorobenzamide;2,3-difluorobenzoic acid;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-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 161265185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).