4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one

C16H8F3N3O — CID 175972406

IUPAC4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one
SMILESO=C1N=Cc2c1cccc2-c1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C16H8F3N3O/c17-16(18,19)9-4-5-22-13(8-20-14(22)6-9)10-2-1-3-11-12(10)7-21-15(11)23/h1-8H
InChIKeyVQDXSFSNPSLDTL-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.59
Rot. Bonds1

About 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one

4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one (PubChem CID 175972406) has the molecular formula C16H8F3N3O and a molecular weight of 315.25 g/mol. Its IUPAC name is 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one.

Molecular Properties

Compound Name4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one
PubChem CID175972406
Molecular FormulaC16H8F3N3O
Molecular Weight315.25 g/mol
Exact Mass315.06
IUPAC Name4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one
SMILESO=C1N=Cc2c1cccc2-c1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C16H8F3N3O/c17-16(18,19)9-4-5-22-13(8-20-14(22)6-9)10-2-1-3-11-12(10)7-21-15(11)23/h1-8H
InChIKeyVQDXSFSNPSLDTL-UHFFFAOYSA-N
XLogP3.59
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one?
The IUPAC name of 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one (CID 175972406) is 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one.
What is the SMILES notation for 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one?
The canonical SMILES for 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one is O=C1N=Cc2c1cccc2-c1cnc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one?
The InChIKey is VQDXSFSNPSLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3O/c17-16(18,19)9-4-5-22-13(8-20-14(22)6-9)10-2-1-3-11-12(10)7-21-15(11)23/h1-8H.
What are the key properties of 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one?
4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one has a molecular weight of 315.25 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]isoindol-1-one is sourced from PubChem (CID 175972406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).