3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one

C19H23N5O — CID 124907243

IUPAC3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCC[C@H](c3nnc4ccccn34)C2)c(C)c1=O
InChIInChI=1S/C19H23N5O/c1-13-10-20-16(14(2)18(13)25)12-23-8-5-6-15(11-23)19-22-21-17-7-3-4-9-24(17)19/h3-4,7,9-10,15H,5-6,8,11-12H2,1-2H3,(H,20,25)/t15-/m0/s1
InChIKeyTZHABTPLZBFWFP-HNNXBMFYSA-N
MW337.43 g/mol
LogP2.41
Rot. Bonds3

About 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one (PubChem CID 124907243) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
PubChem CID124907243
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCC[C@H](c3nnc4ccccn34)C2)c(C)c1=O
InChIInChI=1S/C19H23N5O/c1-13-10-20-16(14(2)18(13)25)12-23-8-5-6-15(11-23)19-22-21-17-7-3-4-9-24(17)19/h3-4,7,9-10,15H,5-6,8,11-12H2,1-2H3,(H,20,25)/t15-/m0/s1
InChIKeyTZHABTPLZBFWFP-HNNXBMFYSA-N
XLogP2.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one with MolForge

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Related Compounds

5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 131934151
2-methyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136306
3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99942074
6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
CID 50969547
3-[(3S)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97187032
2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 124907160
N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 100624676
4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 77097111
3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
CID 126782854
3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 75514760
1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one (CID 124907243) is 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN2CCC[C@H](c3nnc4ccccn34)C2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The InChIKey is TZHABTPLZBFWFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-10-20-16(14(2)18(13)25)12-23-8-5-6-15(11-23)19-22-21-17-7-3-4-9-24(17)19/h3-4,7,9-10,15H,5-6,8,11-12H2,1-2H3,(H,20,25)/t15-/m0/s1.
What are the key properties of 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 124907243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).