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

C28H18F6N4O — CID 146341413

IUPAC5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESNCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F
InChIInChI=1S/C28H18F6N4O/c29-16-7-9-17(10-8-16)36-27(39)20-13-15(6-11-21(20)28(32,33)34)18-4-2-12-38-25(23(14-35)37-26(18)38)19-3-1-5-22(30)24(19)31/h1-13H,14,35H2,(H,36,39)
InChIKeyGHELZFBFJGOFBN-UHFFFAOYSA-N
MW540.47 g/mol
LogP6.82
Rot. Bonds5

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

5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide (PubChem CID 146341413) has the molecular formula C28H18F6N4O and a molecular weight of 540.47 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
PubChem CID146341413
Molecular FormulaC28H18F6N4O
Molecular Weight540.47 g/mol
Exact Mass540.14
IUPAC Name5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESNCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F
InChIInChI=1S/C28H18F6N4O/c29-16-7-9-17(10-8-16)36-27(39)20-13-15(6-11-21(20)28(32,33)34)18-4-2-12-38-25(23(14-35)37-26(18)38)19-3-1-5-22(30)24(19)31/h1-13H,14,35H2,(H,36,39)
InChIKeyGHELZFBFJGOFBN-UHFFFAOYSA-N
XLogP6.82
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.47
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146840453
N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 146307411
N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 160643216
2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11235393
N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 146963456
2-(azetidin-1-yl)-5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 138736054
2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11223775
5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 159838768
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212946
2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11487330
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide (CID 146341413) is 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide is NCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.
What is the InChIKey of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is GHELZFBFJGOFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F6N4O/c29-16-7-9-17(10-8-16)36-27(39)20-13-15(6-11-21(20)28(32,33)34)18-4-2-12-38-25(23(14-35)37-26(18)38)19-3-1-5-22(30)24(19)31/h1-13H,14,35H2,(H,36,39).
What are the key properties of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 540.47 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146341413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).