4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide

C21H13F4N3O — CID 42694194

IUPAC4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C21H13F4N3O/c22-16-10-6-14(7-11-16)20(29)27-19-18(26-17-3-1-2-12-28(17)19)13-4-8-15(9-5-13)21(23,24)25/h1-12H,(H,27,29)
InChIKeyOWMBYZLHCATYAE-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.41
Rot. Bonds3

About 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide

4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42694194) has the molecular formula C21H13F4N3O and a molecular weight of 399.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID42694194
Molecular FormulaC21H13F4N3O
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC Name4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C21H13F4N3O/c22-16-10-6-14(7-11-16)20(29)27-19-18(26-17-3-1-2-12-28(17)19)13-4-8-15(9-5-13)21(23,24)25/h1-12H,(H,27,29)
InChIKeyOWMBYZLHCATYAE-UHFFFAOYSA-N
XLogP5.41
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acalabrutinib
CID 71226662
Zolpidem
CID 5732
Tinodasertib
CID 71766360
3-(2-(3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11625929
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
4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71605047
Clk-IN-T3
CID 132585205
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 42694194) is 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is OWMBYZLHCATYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O/c22-16-10-6-14(7-11-16)20(29)27-19-18(26-17-3-1-2-12-28(17)19)13-4-8-15(9-5-13)21(23,24)25/h1-12H,(H,27,29).
What are the key properties of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 399.35 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42694194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).