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

C21H27N5O — CID 127039170

IUPAC2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(C4CCC4)CC3)o2)c2ccccn12
InChIInChI=1S/C21H27N5O/c1-14(2)19-22-18(17-8-3-4-11-26(17)19)21-24-23-20(27-21)15-9-12-25(13-10-15)16-6-5-7-16/h3-4,8,11,14-16H,5-7,9-10,12-13H2,1-2H3
InChIKeyZFXPLSPARWTGJB-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.24
Rot. Bonds4

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

2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (PubChem CID 127039170) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
PubChem CID127039170
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(C4CCC4)CC3)o2)c2ccccn12
InChIInChI=1S/C21H27N5O/c1-14(2)19-22-18(17-8-3-4-11-26(17)19)21-24-23-20(27-21)15-9-12-25(13-10-15)16-6-5-7-16/h3-4,8,11,14-16H,5-7,9-10,12-13H2,1-2H3
InChIKeyZFXPLSPARWTGJB-UHFFFAOYSA-N
XLogP4.24
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
CID 154700505
N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
CID 162657891
2-[1-(Cyclobutylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
CID 127039503
2-[1-(Cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
CID 127039504
2-(3-Propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
CID 127039505
2-[1-(3-Methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
CID 127039506
2-[1-(Oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145966243
2-[1-(3-Methoxypropyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145968234
2-(1-Propan-2-ylimidazo[1,5-a]pyridin-3-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
CID 145978151
(S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl)benzyl)propanamide
CID 44574375
N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280696
N-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine
CID 45784105

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (CID 127039170) is 2-(1-cyclobutylpiperidin-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-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is CC(C)c1nc(-c2nnc(C3CCN(C4CCC4)CC3)o2)c2ccccn12.
What is the InChIKey of 2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The InChIKey is ZFXPLSPARWTGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)19-22-18(17-8-3-4-11-26(17)19)21-24-23-20(27-21)15-9-12-25(13-10-15)16-6-5-7-16/h3-4,8,11,14-16H,5-7,9-10,12-13H2,1-2H3.
What are the key properties of 2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole has a molecular weight of 365.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpiperidin-4-yl)-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127039170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).