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

C24H26N6O3 — CID 94683252

IUPAC2-[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
SMILESCc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5C[C@@H](C)C[C@H](C)C5)nc34)n2)cc1
InChIInChI=1S/C24H26N6O3/c1-15-6-8-18(9-7-15)21-25-23(33-27-21)19-5-4-10-29-22(19)26-30(24(29)32)14-20(31)28-12-16(2)11-17(3)13-28/h4-10,16-17H,11-14H2,1-3H3/t16-,17-/m0/s1
InChIKeyKRXCZYGGJJFZEJ-IRXDYDNUSA-N
MW446.51 g/mol
LogP3.03
Rot. Bonds4

About 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

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 (PubChem CID 94683252) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID94683252
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name2-[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
SMILESCc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5C[C@@H](C)C[C@H](C)C5)nc34)n2)cc1
InChIInChI=1S/C24H26N6O3/c1-15-6-8-18(9-7-15)21-25-23(33-27-21)19-5-4-10-29-22(19)26-30(24(29)32)14-20(31)28-12-16(2)11-17(3)13-28/h4-10,16-17H,11-14H2,1-3H3/t16-,17-/m0/s1
InChIKeyKRXCZYGGJJFZEJ-IRXDYDNUSA-N
XLogP3.03
TPSA98.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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
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
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
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)-4-phenylbutan-2-yl]acetamide
CID 95181867
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
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
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
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
CID 16675000
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30741331
4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one
CID 95808452
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 51218802
2-[8-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-methylphenyl)acetamide
CID 95095023

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5C[C@@H](C)C[C@H](C)C5)nc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is KRXCZYGGJJFZEJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-6-8-18(9-7-15)21-25-23(33-27-21)19-5-4-10-29-22(19)26-30(24(29)32)14-20(31)28-12-16(2)11-17(3)13-28/h4-10,16-17H,11-14H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 446.51 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 94683252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).