2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole

C22H29N5O — CID 127039503

IUPAC2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccn12
InChIInChI=1S/C22H29N5O/c1-15(2)20-23-19(18-8-3-4-11-27(18)20)22-25-24-21(28-22)17-9-12-26(13-10-17)14-16-6-5-7-16/h3-4,8,11,15-17H,5-7,9-10,12-14H2,1-2H3
InChIKeyGVSAKGGENWBBFO-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.49
Rot. Bonds5

About 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole

2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (PubChem CID 127039503) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
PubChem CID127039503
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccn12
InChIInChI=1S/C22H29N5O/c1-15(2)20-23-19(18-8-3-4-11-27(18)20)22-25-24-21(28-22)17-9-12-26(13-10-17)14-16-6-5-7-16/h3-4,8,11,15-17H,5-7,9-10,12-14H2,1-2H3
InChIKeyGVSAKGGENWBBFO-UHFFFAOYSA-N
XLogP4.49
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (CID 127039503) is 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is CC(C)c1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccn12.
What is the InChIKey of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The InChIKey is GVSAKGGENWBBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15(2)20-23-19(18-8-3-4-11-27(18)20)22-25-24-21(28-22)17-9-12-26(13-10-17)14-16-6-5-7-16/h3-4,8,11,15-17H,5-7,9-10,12-14H2,1-2H3.
What are the key properties of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole has a molecular weight of 379.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127039503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).