5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole

C21H27N5O3 — CID 167790282

IUPAC5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(Cc2cccc3nccn23)CC1
InChIInChI=1S/C21H27N5O3/c1-27-21(20-23-19(24-29-20)16-5-13-28-14-6-16)7-10-25(11-8-21)15-17-3-2-4-18-22-9-12-26(17)18/h2-4,9,12,16H,5-8,10-11,13-15H2,1H3
InChIKeyGORYZHCQDPCWGM-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.75
Rot. Bonds5

About 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole

5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 167790282) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID167790282
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(Cc2cccc3nccn23)CC1
InChIInChI=1S/C21H27N5O3/c1-27-21(20-23-19(24-29-20)16-5-13-28-14-6-16)7-10-25(11-8-21)15-17-3-2-4-18-22-9-12-26(17)18/h2-4,9,12,16H,5-8,10-11,13-15H2,1H3
InChIKeyGORYZHCQDPCWGM-UHFFFAOYSA-N
XLogP2.75
TPSA77.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034
5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 128973617
N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 128973592
3-chloro-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methyl]benzoic acid
CID 136552279
1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 128973663
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547
(2S)-4-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-(3-methoxyphenyl)morpholine
CID 124614775
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 128973649
(5-chloro-2-pyridinyl)-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methanone
CID 128973660
5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 167951118
3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 128973495
7-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]imidazo[1,2-a]quinoline
CID 24876307

Frequently Asked Questions

What is the IUPAC name of 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole (CID 167790282) is 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole is COC1(c2nc(C3CCOCC3)no2)CCN(Cc2cccc3nccn23)CC1.
What is the InChIKey of 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is GORYZHCQDPCWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-27-21(20-23-19(24-29-20)16-5-13-28-14-6-16)7-10-25(11-8-21)15-17-3-2-4-18-22-9-12-26(17)18/h2-4,9,12,16H,5-8,10-11,13-15H2,1H3.
What are the key properties of 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 397.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167790282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).