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

C21H12ClF6N3O3 — CID 134433946

IUPAC5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12
InChIInChI=1S/C21H12ClF6N3O3/c22-13-6-11(5-12(7-13)20(23,24)25)19(21(26,27)28)8-14(30-34-19)1-2-15-3-4-16(18(32)33)17-9-29-10-31(15)17/h1-7,9-10H,8H2,(H,32,33)/b2-1+
InChIKeyINQCPLNCSGUHBV-OWOJBTEDSA-N
MW503.79 g/mol
LogP5.95
Rot. Bonds4

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

5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 134433946) has the molecular formula C21H12ClF6N3O3 and a molecular weight of 503.79 g/mol. Its IUPAC name is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID134433946
Molecular FormulaC21H12ClF6N3O3
Molecular Weight503.79 g/mol
Exact Mass503.05
IUPAC Name5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12
InChIInChI=1S/C21H12ClF6N3O3/c22-13-6-11(5-12(7-13)20(23,24)25)19(21(26,27)28)8-14(30-34-19)1-2-15-3-4-16(18(32)33)17-9-29-10-31(15)17/h1-7,9-10H,8H2,(H,32,33)/b2-1+
InChIKeyINQCPLNCSGUHBV-OWOJBTEDSA-N
XLogP5.95
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.79
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylic acid
CID 16195721
US10273222, Example 87
CID 86269079
US10273222, Example 97
CID 86269290
US10273222, Example 117
CID 90406689
US10273222, Example 19
CID 90406852
US10273222, Example 81
CID 90407042
US10273222, Example 39
CID 90407084
US10273222, Example 31
CID 90407280
US10273222, Example 126
CID 90407323
US10273222, Example 84
CID 90407344
US10273222, Example 127
CID 90407438
US10273222, Example 105
CID 90407510

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]imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid (CID 134433946) is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)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]imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is INQCPLNCSGUHBV-OWOJBTEDSA-N. The full InChI is InChI=1S/C21H12ClF6N3O3/c22-13-6-11(5-12(7-13)20(23,24)25)19(21(26,27)28)8-14(30-34-19)1-2-15-3-4-16(18(32)33)17-9-29-10-31(15)17/h1-7,9-10H,8H2,(H,32,33)/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]imidazo[1,5-a]pyridine-8-carboxylic acid?
5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 503.79 g/mol, XLogP of 5.95, 4 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]imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 134433946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).