8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C22H21ClN6O3 — CID 94199290

IUPAC8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H]1CCCN(C(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)C1
InChIInChI=1S/C22H21ClN6O3/c1-14-4-2-10-27(12-14)18(30)13-29-22(31)28-11-3-5-17(20(28)25-29)21-24-19(26-32-21)15-6-8-16(23)9-7-15/h3,5-9,11,14H,2,4,10,12-13H2,1H3/t14-/m1/s1
InChIKeyDJHXMQBAVOHMAF-CQSZACIVSA-N
MW452.90 g/mol
LogP3.12
Rot. Bonds4

About 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 94199290) has the molecular formula C22H21ClN6O3 and a molecular weight of 452.90 g/mol. Its IUPAC name is 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID94199290
Molecular FormulaC22H21ClN6O3
Molecular Weight452.90 g/mol
Exact Mass452.14
IUPAC Name8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H]1CCCN(C(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)C1
InChIInChI=1S/C22H21ClN6O3/c1-14-4-2-10-27(12-14)18(30)13-29-22(31)28-11-3-5-17(20(28)25-29)21-24-19(26-32-21)15-6-8-16(23)9-7-15/h3,5-9,11,14H,2,4,10,12-13H2,1H3/t14-/m1/s1
InChIKeyDJHXMQBAVOHMAF-CQSZACIVSA-N
XLogP3.12
TPSA98.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94683251
2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94683252
2-[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94683245
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 3593646
N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841395
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46627561
N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841415
1-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 812533
N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841096
ethyl (3R)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-3-carboxylate
CID 92887818
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 16878575
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 94199290) is 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is C[C@@H]1CCCN(C(=O)Cn2nc3c(-c4nc(-c5ccc(Cl)cc5)no4)cccn3c2=O)C1.
What is the InChIKey of 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DJHXMQBAVOHMAF-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21ClN6O3/c1-14-4-2-10-27(12-14)18(30)13-29-22(31)28-11-3-5-17(20(28)25-29)21-24-19(26-32-21)15-6-8-16(23)9-7-15/h3,5-9,11,14H,2,4,10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 452.90 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 94199290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).