2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C23H19ClF3N3O4 — CID 56596478

IUPAC2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCO[C@@H](COc1ccccc1Cl)Cn1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2c1=O
InChIInChI=1S/C23H19ClF3N3O4/c1-32-18(14-33-20-5-3-2-4-19(20)24)13-30-22(31)29-12-16(8-11-21(29)28-30)15-6-9-17(10-7-15)34-23(25,26)27/h2-12,18H,13-14H2,1H3/t18-/m1/s1
InChIKeyYWPYCDLKADHMCQ-GOSISDBHSA-N
MW493.87 g/mol
LogP4.81
Rot. Bonds8

About 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 56596478) has the molecular formula C23H19ClF3N3O4 and a molecular weight of 493.87 g/mol. Its IUPAC name is 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID56596478
Molecular FormulaC23H19ClF3N3O4
Molecular Weight493.87 g/mol
Exact Mass493.10
IUPAC Name2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCO[C@@H](COc1ccccc1Cl)Cn1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2c1=O
InChIInChI=1S/C23H19ClF3N3O4/c1-32-18(14-33-20-5-3-2-4-19(20)24)13-30-22(31)29-12-16(8-11-21(29)28-30)15-6-9-17(10-7-15)34-23(25,26)27/h2-12,18H,13-14H2,1H3/t18-/m1/s1
InChIKeyYWPYCDLKADHMCQ-GOSISDBHSA-N
XLogP4.81
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56596379
2-[3-(2-aminophenoxy)-2-hydroxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 68641421
2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56595840
2-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56595795
2-(2-pyrimidin-4-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56595837
2-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 58044368
2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56595984
2-pyridin-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56596081
2-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 118218495
2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 66633611
2-[[3-[[3-oxo-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 58044498
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 56596478) is 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CO[C@@H](COc1ccccc1Cl)Cn1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2c1=O.
What is the InChIKey of 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YWPYCDLKADHMCQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H19ClF3N3O4/c1-32-18(14-33-20-5-3-2-4-19(20)24)13-30-22(31)29-12-16(8-11-21(29)28-30)15-6-9-17(10-7-15)34-23(25,26)27/h2-12,18H,13-14H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 493.87 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(2-chlorophenoxy)-2-methoxypropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 56596478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).