1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline

C23H14F3N3O — CID 146025726

IUPAC1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline
SMILESFC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12
InChIInChI=1S/C23H14F3N3O/c24-23(25,26)19-14-16(30-22-17-5-2-1-4-15(17)10-11-28-22)8-9-18(19)20-6-3-7-21-27-12-13-29(20)21/h1-14H
InChIKeyDVEVXJFNXUEGIT-UHFFFAOYSA-N
MW405.38 g/mol
LogP6.36
Rot. Bonds3

About 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline

1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline (PubChem CID 146025726) has the molecular formula C23H14F3N3O and a molecular weight of 405.38 g/mol. Its IUPAC name is 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline.

Molecular Properties

Compound Name1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline
PubChem CID146025726
Molecular FormulaC23H14F3N3O
Molecular Weight405.38 g/mol
Exact Mass405.11
IUPAC Name1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline
SMILESFC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12
InChIInChI=1S/C23H14F3N3O/c24-23(25,26)19-14-16(30-22-17-5-2-1-4-15(17)10-11-28-22)8-9-18(19)20-6-3-7-21-27-12-13-29(20)21/h1-14H
InChIKeyDVEVXJFNXUEGIT-UHFFFAOYSA-N
XLogP6.36
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline?
The IUPAC name of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline (CID 146025726) is 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline.
What is the SMILES notation for 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline?
The canonical SMILES for 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline is FC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12.
What is the InChIKey of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline?
The InChIKey is DVEVXJFNXUEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O/c24-23(25,26)19-14-16(30-22-17-5-2-1-4-15(17)10-11-28-22)8-9-18(19)20-6-3-7-21-27-12-13-29(20)21/h1-14H.
What are the key properties of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline?
1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline has a molecular weight of 405.38 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]isoquinoline is sourced from PubChem (CID 146025726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).