(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C18H22N4O3 — CID 124817136

IUPAC(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1
InChIInChI=1S/C18H22N4O3/c1-21-11-14(10-20-21)17(23)22-12-18(13-22)15(6-9-25-18)5-8-24-16-4-2-3-7-19-16/h2-4,7,10-11,15H,5-6,8-9,12-13H2,1H3/t15-/m0/s1
InChIKeyKJANAWUITWWZHJ-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.52
Rot. Bonds5

About (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124817136) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124817136
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1
InChIInChI=1S/C18H22N4O3/c1-21-11-14(10-20-21)17(23)22-12-18(13-22)15(6-9-25-18)5-8-24-16-4-2-3-7-19-16/h2-4,7,10-11,15H,5-6,8-9,12-13H2,1H3/t15-/m0/s1
InChIKeyKJANAWUITWWZHJ-HNNXBMFYSA-N
XLogP1.52
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 124817136) is (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is KJANAWUITWWZHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-11-14(10-20-21)17(23)22-12-18(13-22)15(6-9-25-18)5-8-24-16-4-2-3-7-19-16/h2-4,7,10-11,15H,5-6,8-9,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124817136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).