5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide

C24H16ClF9N4O2 — CID 134433907

IUPAC5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12
InChIInChI=1S/C24H16ClF9N4O2/c25-15-8-13(7-14(9-15)23(29,30)31)21(24(32,33)34)10-16(37-40-21)1-2-17-3-4-18(19-11-35-12-38(17)19)20(39)36-6-5-22(26,27)28/h1-4,7-9,11-12H,5-6,10H2,(H,36,39)/b2-1+
InChIKeySEQTXPUMRZSIQK-OWOJBTEDSA-N
MW598.85 g/mol
LogP6.94
Rot. Bonds6

About 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide

5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide (PubChem CID 134433907) has the molecular formula C24H16ClF9N4O2 and a molecular weight of 598.85 g/mol. Its IUPAC name is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide
PubChem CID134433907
Molecular FormulaC24H16ClF9N4O2
Molecular Weight598.85 g/mol
Exact Mass598.08
IUPAC Name5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12
InChIInChI=1S/C24H16ClF9N4O2/c25-15-8-13(7-14(9-15)23(29,30)31)21(24(32,33)34)10-16(37-40-21)1-2-17-3-4-18(19-11-35-12-38(17)19)20(39)36-6-5-22(26,27)28/h1-4,7-9,11-12H,5-6,10H2,(H,36,39)/b2-1+
InChIKeySEQTXPUMRZSIQK-OWOJBTEDSA-N
XLogP6.94
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.85
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide (CID 134433907) is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide is O=C(NCCC(F)(F)F)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12.
What is the InChIKey of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide?
The InChIKey is SEQTXPUMRZSIQK-OWOJBTEDSA-N. The full InChI is InChI=1S/C24H16ClF9N4O2/c25-15-8-13(7-14(9-15)23(29,30)31)21(24(32,33)34)10-16(37-40-21)1-2-17-3-4-18(19-11-35-12-38(17)19)20(39)36-6-5-22(26,27)28/h1-4,7-9,11-12H,5-6,10H2,(H,36,39)/b2-1+.
What are the key properties of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide?
5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide has a molecular weight of 598.85 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 134433907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).