[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C18H16N6O2 — CID 138810806

IUPAC[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1onc2ncccc12)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C18H16N6O2/c25-18(15-13-4-3-8-19-16(13)22-26-15)23-10-6-12(7-11-23)17-21-20-14-5-1-2-9-24(14)17/h1-5,8-9,12H,6-7,10-11H2
InChIKeyADOPYLXWZFFXRR-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.29
Rot. Bonds2

About [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 138810806) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID138810806
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1onc2ncccc12)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C18H16N6O2/c25-18(15-13-4-3-8-19-16(13)22-26-15)23-10-6-12(7-11-23)17-21-20-14-5-1-2-9-24(14)17/h1-5,8-9,12H,6-7,10-11H2
InChIKeyADOPYLXWZFFXRR-UHFFFAOYSA-N
XLogP2.29
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146046573
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 129397169
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
(2-chloro-4-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46576736
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
(4-nitrophenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897188
(4-methoxynaphthalen-1-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898021
(4-bromo-3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898713
1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42569763

Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 138810806) is [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1onc2ncccc12)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is ADOPYLXWZFFXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-18(15-13-4-3-8-19-16(13)22-26-15)23-10-6-12(7-11-23)17-21-20-14-5-1-2-9-24(14)17/h1-5,8-9,12H,6-7,10-11H2.
What are the key properties of [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 348.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 138810806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).