6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide

C26H14F6N4O — CID 146307416

IUPAC6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(-c2cccn3c(-c4cccc(F)c4F)cnc23)ccc1C(F)(F)F
InChIInChI=1S/C26H14F6N4O/c27-14-6-8-15(9-7-14)34-25(37)23-18(26(30,31)32)10-11-20(35-23)16-4-2-12-36-21(13-33-24(16)36)17-3-1-5-19(28)22(17)29/h1-13H,(H,34,37)
InChIKeyVEAJXURIZOFGTE-UHFFFAOYSA-N
MW512.41 g/mol
LogP6.75
Rot. Bonds4

About 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide

6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146307416) has the molecular formula C26H14F6N4O and a molecular weight of 512.41 g/mol. Its IUPAC name is 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146307416
Molecular FormulaC26H14F6N4O
Molecular Weight512.41 g/mol
Exact Mass512.11
IUPAC Name6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(-c2cccn3c(-c4cccc(F)c4F)cnc23)ccc1C(F)(F)F
InChIInChI=1S/C26H14F6N4O/c27-14-6-8-15(9-7-14)34-25(37)23-18(26(30,31)32)10-11-20(35-23)16-4-2-12-36-21(13-33-24(16)36)17-3-1-5-19(28)22(17)29/h1-13H,(H,34,37)
InChIKeyVEAJXURIZOFGTE-UHFFFAOYSA-N
XLogP6.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.41
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide (CID 146307416) is 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1nc(-c2cccn3c(-c4cccc(F)c4F)cnc23)ccc1C(F)(F)F.
What is the InChIKey of 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VEAJXURIZOFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N4O/c27-14-6-8-15(9-7-14)34-25(37)23-18(26(30,31)32)10-11-20(35-23)16-4-2-12-36-21(13-33-24(16)36)17-3-1-5-19(28)22(17)29/h1-13H,(H,34,37).
What are the key properties of 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide?
6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 512.41 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146307416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).