[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C23H26N4O3 — CID 51931513

IUPAC[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@H](c2nnc3ccccn23)C1
InChIInChI=1S/C23H26N4O3/c28-23(17-6-3-8-19(14-17)30-16-20-9-5-13-29-20)26-11-4-7-18(15-26)22-25-24-21-10-1-2-12-27(21)22/h1-3,6,8,10,12,14,18,20H,4-5,7,9,11,13,15-16H2/t18-,20+/m0/s1
InChIKeyRSUYQYIUIAZDPN-AZUAARDMSA-N
MW406.49 g/mol
LogP3.31
Rot. Bonds5

About [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 51931513) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID51931513
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@H](c2nnc3ccccn23)C1
InChIInChI=1S/C23H26N4O3/c28-23(17-6-3-8-19(14-17)30-16-20-9-5-13-29-20)26-11-4-7-18(15-26)22-25-24-21-10-1-2-12-27(21)22/h1-3,6,8,10,12,14,18,20H,4-5,7,9,11,13,15-16H2/t18-,20+/m0/s1
InChIKeyRSUYQYIUIAZDPN-AZUAARDMSA-N
XLogP3.31
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(oxolan-2-ylmethoxy)phenyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42940692
2-[(2S)-oxolan-2-yl]-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 94112786
(3-aminophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119837128
[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124884052
2,3-dihydro-1-benzofuran-5-yl-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 47024138
1-ethyl-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 125171730
N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 87034364
1,4-diazepan-1-yl-[3-(oxolan-2-ylmethoxy)phenyl]methanone;hydrochloride
CID 119414799
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 25490105
(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 33395478
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97245326
2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridine-4-carbonitrile
CID 100755900

Frequently Asked Questions

What is the IUPAC name of [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 51931513) is [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@H](c2nnc3ccccn23)C1.
What is the InChIKey of [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is RSUYQYIUIAZDPN-AZUAARDMSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-23(17-6-3-8-19(14-17)30-16-20-9-5-13-29-20)26-11-4-7-18(15-26)22-25-24-21-10-1-2-12-27(21)22/h1-3,6,8,10,12,14,18,20H,4-5,7,9,11,13,15-16H2/t18-,20+/m0/s1.
What are the key properties of [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51931513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).