2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one

C16H18N6O2 — CID 155957334

IUPAC2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(=O)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C16H18N6O2/c1-20-12(9-14(23)19-20)16(24)21-7-4-5-11(10-21)15-18-17-13-6-2-3-8-22(13)15/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,19,23)
InChIKeyRRUQKFLKVYPFTQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.78
Rot. Bonds2

About 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one

2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one (PubChem CID 155957334) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one
PubChem CID155957334
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(=O)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C16H18N6O2/c1-20-12(9-14(23)19-20)16(24)21-7-4-5-11(10-21)15-18-17-13-6-2-3-8-22(13)15/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,19,23)
InChIKeyRRUQKFLKVYPFTQ-UHFFFAOYSA-N
XLogP0.78
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125175514
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
1-ethyl-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 125171730
N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 87034364
(4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42537767
(3-aminophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119837128
2-hydroxy-2-phenyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110881752
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46534378
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31832296
[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 94111010
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one (CID 155957334) is 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1C(=O)N1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one?
The InChIKey is RRUQKFLKVYPFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-20-12(9-14(23)19-20)16(24)21-7-4-5-11(10-21)15-18-17-13-6-2-3-8-22(13)15/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,19,23).
What are the key properties of 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one?
2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one has a molecular weight of 326.36 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one is sourced from PubChem (CID 155957334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).