[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate

C24H15F3N2O3S — CID 86668279

IUPAC[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2c1)C(F)(F)F
InChIInChI=1S/C24H15F3N2O3S/c25-24(26,27)33(30,31)32-21-11-10-19-13-18(8-9-20(19)14-21)16-4-6-17(7-5-16)22-15-29-12-2-1-3-23(29)28-22/h1-15H
InChIKeyNCDMMLANMDHRJZ-UHFFFAOYSA-N
MW468.46 g/mol
LogP6.05
Rot. Bonds4

About [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate

[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate (PubChem CID 86668279) has the molecular formula C24H15F3N2O3S and a molecular weight of 468.46 g/mol. Its IUPAC name is [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate
PubChem CID86668279
Molecular FormulaC24H15F3N2O3S
Molecular Weight468.46 g/mol
Exact Mass468.08
IUPAC Name[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2c1)C(F)(F)F
InChIInChI=1S/C24H15F3N2O3S/c25-24(26,27)33(30,31)32-21-11-10-19-13-18(8-9-20(19)14-21)16-4-6-17(7-5-16)22-15-29-12-2-1-3-23(29)28-22/h1-15H
InChIKeyNCDMMLANMDHRJZ-UHFFFAOYSA-N
XLogP6.05
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
The IUPAC name of [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate (CID 86668279) is [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
The canonical SMILES for [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate is O=S(=O)(Oc1ccc2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2c1)C(F)(F)F.
What is the InChIKey of [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
The InChIKey is NCDMMLANMDHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O3S/c25-24(26,27)33(30,31)32-21-11-10-19-13-18(8-9-20(19)14-21)16-4-6-17(7-5-16)22-15-29-12-2-1-3-23(29)28-22/h1-15H.
What are the key properties of [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate has a molecular weight of 468.46 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 86668279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).