4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide

C21H15F4N5O — CID 152786925

IUPAC4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1cc(F)cc(-c2cnc3cc(-c4ncccn4)ccn23)c1
InChIInChI=1S/C21H15F4N5O/c22-15-8-14(9-16(11-15)29-19(31)2-4-21(23,24)25)17-12-28-18-10-13(3-7-30(17)18)20-26-5-1-6-27-20/h1,3,5-12H,2,4H2,(H,29,31)
InChIKeyRYSQABPNFQXULF-UHFFFAOYSA-N
MW429.38 g/mol
LogP4.88
Rot. Bonds5

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

4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide (PubChem CID 152786925) has the molecular formula C21H15F4N5O and a molecular weight of 429.38 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
PubChem CID152786925
Molecular FormulaC21H15F4N5O
Molecular Weight429.38 g/mol
Exact Mass429.12
IUPAC Name4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1cc(F)cc(-c2cnc3cc(-c4ncccn4)ccn23)c1
InChIInChI=1S/C21H15F4N5O/c22-15-8-14(9-16(11-15)29-19(31)2-4-21(23,24)25)17-12-28-18-10-13(3-7-30(17)18)20-26-5-1-6-27-20/h1,3,5-12H,2,4H2,(H,29,31)
InChIKeyRYSQABPNFQXULF-UHFFFAOYSA-N
XLogP4.88
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide
CID 158381879
N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
CID 159389279
N-[3-[7-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
CID 158300216
tert-butyl 2-[1-[2-[3-[3-(4,4,4-trifluorobutanoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-4-yl]azetidin-3-yl]acetate
CID 152943726
5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 157063395
1-[3-[7-[5-(1,1-difluoroethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 147204904
5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 159734873
1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 162069426
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
1-[3-[7-(5-amino-4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766770

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide (CID 152786925) is 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide is O=C(CCC(F)(F)F)Nc1cc(F)cc(-c2cnc3cc(-c4ncccn4)ccn23)c1.
What is the InChIKey of 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
The InChIKey is RYSQABPNFQXULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O/c22-15-8-14(9-16(11-15)29-19(31)2-4-21(23,24)25)17-12-28-18-10-13(3-7-30(17)18)20-26-5-1-6-27-20/h1,3,5-12H,2,4H2,(H,29,31).
What are the key properties of 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide?
4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide has a molecular weight of 429.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[3-fluoro-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide is sourced from PubChem (CID 152786925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).