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;2-iodopyridine

C52H33F8IN8O2 — CID 157177742

IUPACN-(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;2-iodopyridine
SMILESIc1ccccn1.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.C5H4IN/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;6-5-3-1-2-4-7-5/h1-15H,(H,33,35);1-12H,(H,27,29);1-4H
InChIKeyAOFFICYPKOIHAW-UHFFFAOYSA-N
MW1080.78 g/mol
LogP13.57
Rot. Bonds7

About 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;2-iodopyridine

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;2-iodopyridine (PubChem CID 157177742) has the molecular formula C52H33F8IN8O2 and a molecular weight of 1080.78 g/mol. Its IUPAC name is 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;2-iodopyridine.

Molecular Properties

Compound NameN-(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;2-iodopyridine
PubChem CID157177742
Molecular FormulaC52H33F8IN8O2
Molecular Weight1080.78 g/mol
Exact Mass1080.16
IUPAC NameN-(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;2-iodopyridine
SMILESIc1ccccn1.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.C5H4IN/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;6-5-3-1-2-4-7-5/h1-15H,(H,33,35);1-12H,(H,27,29);1-4H
InChIKeyAOFFICYPKOIHAW-UHFFFAOYSA-N
XLogP13.57
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.78
LogP ≤ 513.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 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;2-iodopyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;2-iodopyridine?
The IUPAC name of 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;2-iodopyridine (CID 157177742) is 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;2-iodopyridine.
What is the SMILES notation for 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;2-iodopyridine?
The canonical SMILES for 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;2-iodopyridine is Ic1ccccn1.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 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;2-iodopyridine?
The InChIKey is AOFFICYPKOIHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N4O.C21H13F4N3O.C5H4IN/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;6-5-3-1-2-4-7-5/h1-15H,(H,33,35);1-12H,(H,27,29);1-4H.
What are the key properties of 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;2-iodopyridine?
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;2-iodopyridine has a molecular weight of 1080.78 g/mol, XLogP of 13.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-iodopyridine is sourced from PubChem (CID 157177742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).