8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide

C25H19F9N4O3 — CID 58319044

IUPAC8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)n4ccnc34)=NO2)c1
InChIInChI=1S/C25H19F9N4O3/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)17-2-3-19(38-7-6-35-20(17)38)21(40)36-12-16(39)4-5-23(26,27)28/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40)
InChIKeyLJHXGCQMDRHXIA-UHFFFAOYSA-N
MW594.43 g/mol
LogP5.89
Rot. Bonds7

About 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide

8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 58319044) has the molecular formula C25H19F9N4O3 and a molecular weight of 594.43 g/mol. Its IUPAC name is 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID58319044
Molecular FormulaC25H19F9N4O3
Molecular Weight594.43 g/mol
Exact Mass594.13
IUPAC Name8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)n4ccnc34)=NO2)c1
InChIInChI=1S/C25H19F9N4O3/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)17-2-3-19(38-7-6-35-20(17)38)21(40)36-12-16(39)4-5-23(26,27)28/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40)
InChIKeyLJHXGCQMDRHXIA-UHFFFAOYSA-N
XLogP5.89
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.43
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 155527082
4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57407261
4-(2-hydroxypropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175469
N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67987896
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 49778438
N-[2-(dimethylamino)ethyl]-3-[8-formamido-3-[3-(trifluoromethyl)phenyl]-6-imidazo[1,2-a]pyridinyl]benzamide
CID 49791136
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 122178097
N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155550674
N-propyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155560276
6-methyl-N-propyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155560743
N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155561881
N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 58319044) is 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide is Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)n4ccnc34)=NO2)c1.
What is the InChIKey of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is LJHXGCQMDRHXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F9N4O3/c1-13-8-14(10-15(9-13)24(29,30)31)22(25(32,33)34)11-18(37-41-22)17-2-3-19(38-7-6-35-20(17)38)21(40)36-12-16(39)4-5-23(26,27)28/h2-3,6-10H,4-5,11-12H2,1H3,(H,36,40).
What are the key properties of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide?
8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 594.43 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 58319044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).