8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride

C91H66BCl4F11N14O7 — CID 158459878

About 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride

8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride (PubChem CID 158459878) has the molecular formula C91H66BCl4F11N14O7 and a molecular weight of 1829.22 g/mol. Its IUPAC name is 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride.

Molecular Properties

• Compound Name: 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride
• PubChem CID: 158459878
• Molecular Formula: C91H66BCl4F11N14O7
• Molecular Weight: 1829.22 g/mol
• Exact Mass: 1826.39
• IUPAC Name: 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride
• SMILES: Cc1ncc(-c2cccn3c(-c4c(F)cccc4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ncc(-c2cccn3c(-c4c(F)cccc4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)cc1.Cl.Cl.Fc1cccc(F)c1-c1ncc2c(Cl)cccn12.NCc1ncccc1Cl.O=C(O)c1c(F)cccc1F
• InChI: InChI=1S/2C26H17F3N4O.C13H12BFN2O3.C13H7ClF2N2.C7H4F2O2.C6H7ClN2.2ClH/c2*1-15-20(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-4-3-11-33-23(19)14-31-25(33)24-21(28)5-2-6-22(24)29;1-8-12(6-9(7-16-8)14(19)20)13(18)17-11-4-2-10(15)3-5-11;14-8-3-2-6-18-11(8)7-17-13(18)12-9(15)4-1-5-10(12)16;8-4-2-1-3-5(9)6(4)7(10)11;7-5-2-1-3-9-6(5)4-8;;/h2*2-14H,1H3,(H,32,34);2-7,19-20H,1H3,(H,17,18);1-7H;1-3H,(H,10,11);1-3H,4,8H2;2*1H
• InChIKey: KGNLPNCXKXTHJP-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 294.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.22
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride?

The IUPAC name of 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride (CID 158459878) is 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride.

What is the SMILES notation for 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride?

The canonical SMILES for 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride is Cc1ncc(-c2cccn3c(-c4c(F)cccc4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ncc(-c2cccn3c(-c4c(F)cccc4F)ncc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)cc1.Cl.Cl.Fc1cccc(F)c1-c1ncc2c(Cl)cccn12.NCc1ncccc1Cl.O=C(O)c1c(F)cccc1F.

What is the InChIKey of 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride?

The InChIKey is KGNLPNCXKXTHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H17F3N4O.C13H12BFN2O3.C13H7ClF2N2.C7H4F2O2.C6H7ClN2.2ClH/c2*1-15-20(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-4-3-11-33-23(19)14-31-25(33)24-21(28)5-2-6-22(24)29;1-8-12(6-9(7-16-8)14(19)20)13(18)17-11-4-2-10(15)3-5-11;14-8-3-2-6-18-11(8)7-17-13(18)12-9(15)4-1-5-10(12)16;8-4-2-1-3-5(9)6(4)7(10)11;7-5-2-1-3-9-6(5)4-8;;/h2*2-14H,1H3,(H,32,34);2-7,19-20H,1H3,(H,17,18);1-7H;1-3H,(H,10,11);1-3H,4,8H2;2*1H.

What are the key properties of 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride?

8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride has a molecular weight of 1829.22 g/mol, XLogP of 20.18, 14 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;bis(5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride is sourced from PubChem (CID 158459878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).