N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

C27H18F4N4O — CID 146307411

IUPACN-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cnc3c(-c4ccc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)cn1
InChIInChI=1S/C27H18F4N4O/c1-16-4-5-18(14-32-16)24-15-33-25-21(3-2-12-35(24)25)17-6-11-23(27(29,30)31)22(13-17)26(36)34-20-9-7-19(28)8-10-20/h2-15H,1H3,(H,34,36)
InChIKeyQZVZQYMAMVUDAY-UHFFFAOYSA-N
MW490.46 g/mol
LogP6.78
Rot. Bonds4

About N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 146307411) has the molecular formula C27H18F4N4O and a molecular weight of 490.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID146307411
Molecular FormulaC27H18F4N4O
Molecular Weight490.46 g/mol
Exact Mass490.14
IUPAC NameN-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cnc3c(-c4ccc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)cn1
InChIInChI=1S/C27H18F4N4O/c1-16-4-5-18(14-32-16)24-15-33-25-21(3-2-12-35(24)25)17-6-11-23(27(29,30)31)22(13-17)26(36)34-20-9-7-19(28)8-10-20/h2-15H,1H3,(H,34,36)
InChIKeyQZVZQYMAMVUDAY-UHFFFAOYSA-N
XLogP6.78
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 160643216
5-[3-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146840453
N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212946
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146341413
N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 146963456
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
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
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 157356274
5-[3,3-dimethyl-2-oxo-1-(1-oxopyrazol-1-ium-3-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 160875185
2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 167141010
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole
CID 146771255

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 146307411) is N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is Cc1ccc(-c2cnc3c(-c4ccc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)cn1.
What is the InChIKey of N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is QZVZQYMAMVUDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N4O/c1-16-4-5-18(14-32-16)24-15-33-25-21(3-2-12-35(24)25)17-6-11-23(27(29,30)31)22(13-17)26(36)34-20-9-7-19(28)8-10-20/h2-15H,1H3,(H,34,36).
What are the key properties of N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 490.46 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146307411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).