3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

C20H15FN4O2 — CID 39031047

IUPAC3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2ccccn12)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O2/c21-16-9-7-14(8-10-16)13-27-17-5-3-4-15(12-17)19(26)22-20-24-23-18-6-1-2-11-25(18)20/h1-12H,13H2,(H,22,24,26)
InChIKeyFGCVOZHOFBJSQC-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.70
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (PubChem CID 39031047) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
PubChem CID39031047
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2ccccn12)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O2/c21-16-9-7-14(8-10-16)13-27-17-5-3-4-15(12-17)19(26)22-20-24-23-18-6-1-2-11-25(18)20/h1-12H,13H2,(H,22,24,26)
InChIKeyFGCVOZHOFBJSQC-UHFFFAOYSA-N
XLogP3.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylmethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 78810194
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24647665
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450
N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572178
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 30697494
N-(4-acetamido-3-chlorophenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 43041597
3-[(4-fluorophenyl)methoxy]benzenecarbothioamide
CID 22686177

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (CID 39031047) is 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is O=C(Nc1nnc2ccccn12)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The InChIKey is FGCVOZHOFBJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-9-7-14(8-10-16)13-27-17-5-3-4-15(12-17)19(26)22-20-24-23-18-6-1-2-11-25(18)20/h1-12H,13H2,(H,22,24,26).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide has a molecular weight of 362.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 39031047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).