6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H11ClFN5O2 — CID 58044564

IUPAC6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1noc(Cn2nc3ccc(-c4ccc(Cl)c(F)c4)cn3c2=O)n1
InChIInChI=1S/C16H11ClFN5O2/c1-9-19-15(25-21-9)8-23-16(24)22-7-11(3-5-14(22)20-23)10-2-4-12(17)13(18)6-10/h2-7H,8H2,1H3
InChIKeyLWCNUTAQWBMTMY-UHFFFAOYSA-N
MW359.75 g/mol
LogP2.70
Rot. Bonds3

About 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 58044564) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID58044564
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC Name6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1noc(Cn2nc3ccc(-c4ccc(Cl)c(F)c4)cn3c2=O)n1
InChIInChI=1S/C16H11ClFN5O2/c1-9-19-15(25-21-9)8-23-16(24)22-7-11(3-5-14(22)20-23)10-2-4-12(17)13(18)6-10/h2-7H,8H2,1H3
InChIKeyLWCNUTAQWBMTMY-UHFFFAOYSA-N
XLogP2.70
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-({3-[2-(4-Chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 169128871
2-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-phenyl-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 49663111
2-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-6-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
CID 49663116
2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56595886
2-[[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 58044333
6-(3,4-Difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 58044365
2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 58044538
2-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 58044601
5-(4-Chlorophenyl)-2-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-one
CID 129090147
5-(4-Chlorophenyl)-2-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-one
CID 129090153
5-(4-Chlorophenyl)-2-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-one
CID 129090198
5-(4-Chlorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-one
CID 129090261

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 58044564) is 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1noc(Cn2nc3ccc(-c4ccc(Cl)c(F)c4)cn3c2=O)n1.
What is the InChIKey of 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is LWCNUTAQWBMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c1-9-19-15(25-21-9)8-23-16(24)22-7-11(3-5-14(22)20-23)10-2-4-12(17)13(18)6-10/h2-7H,8H2,1H3.
What are the key properties of 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 359.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 58044564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).