N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

C27H18F4N4O — CID 68622685

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C27H18F4N4O/c28-22-6-5-21(27(29,30)31)15-23(22)34-26(36)13-17-1-3-19(4-2-17)24-16-33-25-14-20(9-12-35(24)25)18-7-10-32-11-8-18/h1-12,14-16H,13H2,(H,34,36)
InChIKeyYCVNEKSFIIEIQH-UHFFFAOYSA-N
MW490.46 g/mol
LogP6.40
Rot. Bonds5

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 68622685) has the molecular formula C27H18F4N4O and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
PubChem CID68622685
Molecular FormulaC27H18F4N4O
Molecular Weight490.46 g/mol
Exact Mass490.14
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C27H18F4N4O/c28-22-6-5-21(27(29,30)31)15-23(22)34-26(36)13-17-1-3-19(4-2-17)24-16-33-25-14-20(9-12-35(24)25)18-7-10-32-11-8-18/h1-12,14-16H,13H2,(H,34,36)
InChIKeyYCVNEKSFIIEIQH-UHFFFAOYSA-N
XLogP6.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622762
2-[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 68542885
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 68621684
tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
CID 68543160
1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321126
N-(3-acetylphenyl)-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68621927
N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622604
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 68541986
1-[[4-[7-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68621195
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 174621514
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea
CID 68622012

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (CID 68622685) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is O=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is YCVNEKSFIIEIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N4O/c28-22-6-5-21(27(29,30)31)15-23(22)34-26(36)13-17-1-3-19(4-2-17)24-16-33-25-14-20(9-12-35(24)25)18-7-10-32-11-8-18/h1-12,14-16H,13H2,(H,34,36).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 490.46 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 68622685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).