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

C21H29N5O2 — CID 127039506

IUPAC2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCOCCCN1CCC(c2nnc(-c3nc(C(C)C)n4ccccc34)o2)CC1
InChIInChI=1S/C21H29N5O2/c1-15(2)19-22-18(17-7-4-5-11-26(17)19)21-24-23-20(28-21)16-8-12-25(13-9-16)10-6-14-27-3/h4-5,7,11,15-16H,6,8-10,12-14H2,1-3H3
InChIKeyIMDCOISNVLNWFP-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.72
Rot. Bonds7

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

2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (PubChem CID 127039506) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
PubChem CID127039506
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole
SMILESCOCCCN1CCC(c2nnc(-c3nc(C(C)C)n4ccccc34)o2)CC1
InChIInChI=1S/C21H29N5O2/c1-15(2)19-22-18(17-7-4-5-11-26(17)19)21-24-23-20(28-21)16-8-12-25(13-9-16)10-6-14-27-3/h4-5,7,11,15-16H,6,8-10,12-14H2,1-3H3
InChIKeyIMDCOISNVLNWFP-UHFFFAOYSA-N
XLogP3.72
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole (CID 127039506) is 2-[1-(3-methoxypropyl)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-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is COCCCN1CCC(c2nnc(-c3nc(C(C)C)n4ccccc34)o2)CC1.
What is the InChIKey of 2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
The InChIKey is IMDCOISNVLNWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)19-22-18(17-7-4-5-11-26(17)19)21-24-23-20(28-21)16-8-12-25(13-9-16)10-6-14-27-3/h4-5,7,11,15-16H,6,8-10,12-14H2,1-3H3.
What are the key properties of 2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole?
2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole has a molecular weight of 383.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127039506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).