5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C26H14F6N4O — CID 146341459

IUPAC5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cnc1C(F)(F)F
InChIInChI=1S/C26H14F6N4O/c27-15-6-8-16(9-7-15)35-25(37)19-11-14(12-33-23(19)26(30,31)32)17-4-2-10-36-21(13-34-24(17)36)18-3-1-5-20(28)22(18)29/h1-13H,(H,35,37)
InChIKeyHIERAAVQCPNXGU-UHFFFAOYSA-N
MW512.41 g/mol
LogP6.75
Rot. Bonds4

About 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide

5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146341459) has the molecular formula C26H14F6N4O and a molecular weight of 512.41 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146341459
Molecular FormulaC26H14F6N4O
Molecular Weight512.41 g/mol
Exact Mass512.11
IUPAC Name5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cnc1C(F)(F)F
InChIInChI=1S/C26H14F6N4O/c27-15-6-8-16(9-7-15)35-25(37)19-11-14(12-33-23(19)26(30,31)32)17-4-2-10-36-21(13-34-24(17)36)18-3-1-5-20(28)22(18)29/h1-13H,(H,35,37)
InChIKeyHIERAAVQCPNXGU-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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Related Compounds

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3-(2-(3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
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4-[8-Azanyl-3-[(3~{r})-1-(3-Methyloxetan-3-Yl)carbonylpiperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71222614

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 146341459) is 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cnc1C(F)(F)F.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HIERAAVQCPNXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N4O/c27-15-6-8-16(9-7-15)35-25(37)19-11-14(12-33-23(19)26(30,31)32)17-4-2-10-36-21(13-34-24(17)36)18-3-1-5-20(28)22(18)29/h1-13H,(H,35,37).
What are the key properties of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-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 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146341459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).