methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C17H20N6O3 — CID 177289249

IUPACmethyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3cnc4c(C)nn(C)c4c3)n2)CC1
InChIInChI=1S/C17H20N6O3/c1-10-14-13(22(2)20-10)8-12(9-18-14)16-19-15(21-26-16)11-4-6-23(7-5-11)17(24)25-3/h8-9,11H,4-7H2,1-3H3
InChIKeyNNHRCRVWEFKCER-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.27
Rot. Bonds2

About methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 177289249) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID177289249
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Namemethyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3cnc4c(C)nn(C)c4c3)n2)CC1
InChIInChI=1S/C17H20N6O3/c1-10-14-13(22(2)20-10)8-12(9-18-14)16-19-15(21-26-16)11-4-6-23(7-5-11)17(24)25-3/h8-9,11H,4-7H2,1-3H3
InChIKeyNNHRCRVWEFKCER-UHFFFAOYSA-N
XLogP2.27
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439580
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439707
2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137439694
cyclopropyl 4-[5-[6-methanimidoyl-5-(oxetan-3-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 162304189
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
tert-butyl (1R,5S)-3-[5-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 153308152
(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439638
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
(2,4-dimethylphenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121824

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 177289249) is methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2noc(-c3cnc4c(C)nn(C)c4c3)n2)CC1.
What is the InChIKey of methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is NNHRCRVWEFKCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10-14-13(22(2)20-10)8-12(9-18-14)16-19-15(21-26-16)11-4-6-23(7-5-11)17(24)25-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 177289249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).