methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C18H20N6O3 — CID 159553532

IUPACmethyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3ccnc(-c4cnn(C)c4)c3)n2)CC1
InChIInChI=1S/C18H20N6O3/c1-23-11-14(10-20-23)15-9-13(3-6-19-15)17-21-16(22-27-17)12-4-7-24(8-5-12)18(25)26-2/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyMFRUBPACADFIHW-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.48
Rot. Bonds3

About methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 159553532) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID159553532
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Namemethyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3ccnc(-c4cnn(C)c4)c3)n2)CC1
InChIInChI=1S/C18H20N6O3/c1-23-11-14(10-20-23)15-9-13(3-6-19-15)17-21-16(22-27-17)12-4-7-24(8-5-12)18(25)26-2/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyMFRUBPACADFIHW-UHFFFAOYSA-N
XLogP2.48
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 159553532) is methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2noc(-c3ccnc(-c4cnn(C)c4)c3)n2)CC1.
What is the InChIKey of methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is MFRUBPACADFIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-23-11-14(10-20-23)15-9-13(3-6-19-15)17-21-16(22-27-17)12-4-7-24(8-5-12)18(25)26-2/h3,6,9-12H,4-5,7-8H2,1-2H3.
What are the key properties of methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 368.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159553532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).