3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine

C24H16F3N3O2 — CID 146025725

IUPAC3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
SMILESFC(F)(F)c1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1cccc2nccn12
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)18-12-15(6-7-16(18)19-2-1-3-21-28-10-11-30(19)21)32-23-22-17(14-4-5-14)13-31-20(22)8-9-29-23/h1-3,6-14H,4-5H2
InChIKeyOVTVDKYGAWALIW-UHFFFAOYSA-N
MW435.41 g/mol
LogP6.83
Rot. Bonds4

About 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine

3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine (PubChem CID 146025725) has the molecular formula C24H16F3N3O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
PubChem CID146025725
Molecular FormulaC24H16F3N3O2
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
SMILESFC(F)(F)c1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1cccc2nccn12
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)18-12-15(6-7-16(18)19-2-1-3-21-28-10-11-30(19)21)32-23-22-17(14-4-5-14)13-31-20(22)8-9-29-23/h1-3,6-14H,4-5H2
InChIKeyOVTVDKYGAWALIW-UHFFFAOYSA-N
XLogP6.83
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine (CID 146025725) is 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine is FC(F)(F)c1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1cccc2nccn12.
What is the InChIKey of 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is OVTVDKYGAWALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O2/c25-24(26,27)18-12-15(6-7-16(18)19-2-1-3-21-28-10-11-30(19)21)32-23-22-17(14-4-5-14)13-31-20(22)8-9-29-23/h1-3,6-14H,4-5H2.
What are the key properties of 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 435.41 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 146025725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).