4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide

C18H13F6N3O — CID 87227555

IUPAC4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1nc2cc(C(F)(F)F)ccn2c1-c1ccccc1
InChIInChI=1S/C18H13F6N3O/c19-17(20,21)8-6-14(28)26-16-15(11-4-2-1-3-5-11)27-9-7-12(18(22,23)24)10-13(27)25-16/h1-5,7,9-10H,6,8H2,(H,26,28)
InChIKeyCKPCWCUTYUJHAI-UHFFFAOYSA-N
MW401.31 g/mol
LogP5.30
Rot. Bonds4

About 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide

4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide (PubChem CID 87227555) has the molecular formula C18H13F6N3O and a molecular weight of 401.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide
PubChem CID87227555
Molecular FormulaC18H13F6N3O
Molecular Weight401.31 g/mol
Exact Mass401.10
IUPAC Name4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1nc2cc(C(F)(F)F)ccn2c1-c1ccccc1
InChIInChI=1S/C18H13F6N3O/c19-17(20,21)8-6-14(28)26-16-15(11-4-2-1-3-5-11)27-9-7-12(18(22,23)24)10-13(27)25-16/h1-5,7,9-10H,6,8H2,(H,26,28)
InChIKeyCKPCWCUTYUJHAI-UHFFFAOYSA-N
XLogP5.30
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82530079
2-(4-fluorophenyl)-N-(6-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 25196652
(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 82530136
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1251080
3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82530096
2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529869
N-[6-fluoro-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 66991855
N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 115683234
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 105488862
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 71280482
2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91632781
2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529890

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide (CID 87227555) is 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide is O=C(CCC(F)(F)F)Nc1nc2cc(C(F)(F)F)ccn2c1-c1ccccc1.
What is the InChIKey of 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide?
The InChIKey is CKPCWCUTYUJHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N3O/c19-17(20,21)8-6-14(28)26-16-15(11-4-2-1-3-5-11)27-9-7-12(18(22,23)24)10-13(27)25-16/h1-5,7,9-10H,6,8H2,(H,26,28).
What are the key properties of 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide?
4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide has a molecular weight of 401.31 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[3-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]butanamide is sourced from PubChem (CID 87227555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).