8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

C74H54BBrF12N10O5 — CID 159581722

IUPAC8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
SMILESBrc1cccn2cncc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4ccccn4)ncc23)ccc1C(F)(F)F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3cncc23)ccc1C(F)(F)F
InChIInChI=1S/C26H16F4N4O.C21H13F4N3O.C20H20BF4NO3.C7H5BrN2/c27-17-7-9-18(10-8-17)33-25(35)20-14-16(6-11-21(20)26(28,29)30)19-4-3-13-34-23(19)15-32-24(34)22-5-1-2-12-31-22;22-14-4-6-15(7-5-14)27-20(29)17-10-13(3-8-18(17)21(23,24)25)16-2-1-9-28-12-26-11-19(16)28;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;8-6-2-1-3-10-5-9-4-7(6)10/h1-15H,(H,33,35);1-12H,(H,27,29);5-11H,1-4H3,(H,26,27);1-5H
InChIKeyMJCGLDXKZVDRRP-UHFFFAOYSA-N
MW1482.00 g/mol
LogP18.38
Rot. Bonds10

About 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 159581722) has the molecular formula C74H54BBrF12N10O5 and a molecular weight of 1482.00 g/mol. Its IUPAC name is 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID159581722
Molecular FormulaC74H54BBrF12N10O5
Molecular Weight1482.00 g/mol
Exact Mass1480.34
IUPAC Name8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
SMILESBrc1cccn2cncc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4ccccn4)ncc23)ccc1C(F)(F)F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3cncc23)ccc1C(F)(F)F
InChIInChI=1S/C26H16F4N4O.C21H13F4N3O.C20H20BF4NO3.C7H5BrN2/c27-17-7-9-18(10-8-17)33-25(35)20-14-16(6-11-21(20)26(28,29)30)19-4-3-13-34-23(19)15-32-24(34)22-5-1-2-12-31-22;22-14-4-6-15(7-5-14)27-20(29)17-10-13(3-8-18(17)21(23,24)25)16-2-1-9-28-12-26-11-19(16)28;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;8-6-2-1-3-10-5-9-4-7(6)10/h1-15H,(H,33,35);1-12H,(H,27,29);5-11H,1-4H3,(H,26,27);1-5H
InChIKeyMJCGLDXKZVDRRP-UHFFFAOYSA-N
XLogP18.38
TPSA170.55 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.00
LogP ≤ 518.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (CID 159581722) is 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is Brc1cccn2cncc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4ccccn4)ncc23)ccc1C(F)(F)F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3cncc23)ccc1C(F)(F)F.
What is the InChIKey of 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is MJCGLDXKZVDRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N4O.C21H13F4N3O.C20H20BF4NO3.C7H5BrN2/c27-17-7-9-18(10-8-17)33-25(35)20-14-16(6-11-21(20)26(28,29)30)19-4-3-13-34-23(19)15-32-24(34)22-5-1-2-12-31-22;22-14-4-6-15(7-5-14)27-20(29)17-10-13(3-8-18(17)21(23,24)25)16-2-1-9-28-12-26-11-19(16)28;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;8-6-2-1-3-10-5-9-4-7(6)10/h1-15H,(H,33,35);1-12H,(H,27,29);5-11H,1-4H3,(H,26,27);1-5H.
What are the key properties of 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?
8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 1482.00 g/mol, XLogP of 18.38, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159581722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).