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

C18H21N5O2 — CID 131934151

IUPAC5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCCC(c3nnc4ccccn34)C2)cc1=O
InChIInChI=1S/C18H21N5O2/c1-25-16-10-19-14(9-15(16)24)12-22-7-4-5-13(11-22)18-21-20-17-6-2-3-8-23(17)18/h2-3,6,8-10,13H,4-5,7,11-12H2,1H3,(H,19,24)
InChIKeyVBGRQXSGMGIXBX-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.81
Rot. Bonds4

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

5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one (PubChem CID 131934151) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
PubChem CID131934151
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCCC(c3nnc4ccccn34)C2)cc1=O
InChIInChI=1S/C18H21N5O2/c1-25-16-10-19-14(9-15(16)24)12-22-7-4-5-13(11-22)18-21-20-17-6-2-3-8-23(17)18/h2-3,6,8-10,13H,4-5,7,11-12H2,1H3,(H,19,24)
InChIKeyVBGRQXSGMGIXBX-UHFFFAOYSA-N
XLogP1.81
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124755014
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-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
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 42649946
methyl 2-[[2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]benzoate
CID 119039032
N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 95715011

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one (CID 131934151) is 5-methoxy-2-[[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 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN2CCCC(c3nnc4ccccn34)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The InChIKey is VBGRQXSGMGIXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-10-19-14(9-15(16)24)12-22-7-4-5-13(11-22)18-21-20-17-6-2-3-8-23(17)18/h2-3,6,8-10,13H,4-5,7,11-12H2,1H3,(H,19,24).
What are the key properties of 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one has a molecular weight of 339.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 131934151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).