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

C21H27N5O — CID 127039504

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccn12
InChIInChI=1S/C21H27N5O/c1-14(2)19-22-18(17-5-3-4-10-26(17)19)21-24-23-20(27-21)16-8-11-25(12-9-16)13-15-6-7-15/h3-5,10,14-16H,6-9,11-13H2,1-2H3
InChIKeyLGTHXLQSNOMVBV-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.10
Rot. Bonds5

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

2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (PubChem CID 127039504) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
PubChem CID127039504
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccn12
InChIInChI=1S/C21H27N5O/c1-14(2)19-22-18(17-5-3-4-10-26(17)19)21-24-23-20(27-21)16-8-11-25(12-9-16)13-15-6-7-15/h3-5,10,14-16H,6-9,11-13H2,1-2H3
InChIKeyLGTHXLQSNOMVBV-UHFFFAOYSA-N
XLogP4.10
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (CID 127039504) is 2-[1-(cyclopropylmethyl)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-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is CC(C)c1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccn12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The InChIKey is LGTHXLQSNOMVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)19-22-18(17-5-3-4-10-26(17)19)21-24-23-20(27-21)16-8-11-25(12-9-16)13-15-6-7-15/h3-5,10,14-16H,6-9,11-13H2,1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
2-[1-(cyclopropylmethyl)piperidin-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 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127039504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).