methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C19H21N5O4 — CID 134477520

IUPACmethyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3ccc4cnc(C5COC5)n4c3)n2)CC1
InChIInChI=1S/C19H21N5O4/c1-26-19(25)23-6-4-12(5-7-23)16-21-18(28-22-16)13-2-3-15-8-20-17(24(15)9-13)14-10-27-11-14/h2-3,8-9,12,14H,4-7,10-11H2,1H3
InChIKeyLBDBNEGCRGPSJB-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.44
Rot. Bonds3

About methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 134477520) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID134477520
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Namemethyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3ccc4cnc(C5COC5)n4c3)n2)CC1
InChIInChI=1S/C19H21N5O4/c1-26-19(25)23-6-4-12(5-7-23)16-21-18(28-22-16)13-2-3-15-8-20-17(24(15)9-13)14-10-27-11-14/h2-3,8-9,12,14H,4-7,10-11H2,1H3
InChIKeyLBDBNEGCRGPSJB-UHFFFAOYSA-N
XLogP2.44
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 134477520) is methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2noc(-c3ccc4cnc(C5COC5)n4c3)n2)CC1.
What is the InChIKey of methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is LBDBNEGCRGPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-19(25)23-6-4-12(5-7-23)16-21-18(28-22-16)13-2-3-15-8-20-17(24(15)9-13)14-10-27-11-14/h2-3,8-9,12,14H,4-7,10-11H2,1H3.
What are the key properties of methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[3-(oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134477520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).