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

C19H24N4O3 — CID 124819410

IUPAC(1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccccn2)cn1
InChIInChI=1S/C19H24N4O3/c1-22-11-15(10-21-22)18(24)23-13-19(14-23)16(6-9-26-19)5-8-25-12-17-4-2-3-7-20-17/h2-4,7,10-11,16H,5-6,8-9,12-14H2,1H3/t16-/m1/s1
InChIKeyQFSAOQQDTJSVRV-MRXNPFEDSA-N
MW356.43 g/mol
LogP1.65
Rot. Bonds6

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

(1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124819410) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124819410
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccccn2)cn1
InChIInChI=1S/C19H24N4O3/c1-22-11-15(10-21-22)18(24)23-13-19(14-23)16(6-9-26-19)5-8-25-12-17-4-2-3-7-20-17/h2-4,7,10-11,16H,5-6,8-9,12-14H2,1H3/t16-/m1/s1
InChIKeyQFSAOQQDTJSVRV-MRXNPFEDSA-N
XLogP1.65
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124817136
pyrazin-2-yl-[8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155861072
1-adamantyl-[8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692091
(8R)-2-methylsulfonyl-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124782572
2-(cyclohexen-1-yl)-1-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792473
(8S)-8-[2-(pyridin-2-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124798743
(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124912995
[(3aS,6aS)-3a-(pyridin-2-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 97477185
4-methyl-1-[4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]pentan-1-one
CID 131692507
(4-methyl-1,3-oxazol-5-yl)-[(8S)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124812733
(4-methylphenyl)-[(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124822248
3-methyl-1-[8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
CID 131669286

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 124819410) is (1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-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-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccccn2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is QFSAOQQDTJSVRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-11-15(10-21-22)18(24)23-13-19(14-23)16(6-9-26-19)5-8-25-12-17-4-2-3-7-20-17/h2-4,7,10-11,16H,5-6,8-9,12-14H2,1H3/t16-/m1/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.65, 6 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-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124819410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).