3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one

C22H18FN3O2 — CID 157090952

IUPAC3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1cccc(OCc2ccccc2F)c1)c1cccc2ncnn12
InChIInChI=1S/C22H18FN3O2/c23-19-8-2-1-6-17(19)14-28-18-7-3-5-16(13-18)11-12-21(27)20-9-4-10-22-24-15-25-26(20)22/h1-10,13,15H,11-12,14H2
InChIKeyRXKKGFCCMCYQTD-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.26
Rot. Bonds7

About 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one

3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one (PubChem CID 157090952) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one
PubChem CID157090952
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1cccc(OCc2ccccc2F)c1)c1cccc2ncnn12
InChIInChI=1S/C22H18FN3O2/c23-19-8-2-1-6-17(19)14-28-18-7-3-5-16(13-18)11-12-21(27)20-9-4-10-22-24-15-25-26(20)22/h1-10,13,15H,11-12,14H2
InChIKeyRXKKGFCCMCYQTD-UHFFFAOYSA-N
XLogP4.26
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one (CID 157090952) is 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one is O=C(CCc1cccc(OCc2ccccc2F)c1)c1cccc2ncnn12.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one?
The InChIKey is RXKKGFCCMCYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-19-8-2-1-6-17(19)14-28-18-7-3-5-16(13-18)11-12-21(27)20-9-4-10-22-24-15-25-26(20)22/h1-10,13,15H,11-12,14H2.
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one?
3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one has a molecular weight of 375.40 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 157090952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).