[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone

C18H22N4O2 — CID 118744891

IUPAC[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
SMILESCn1cc(C2COC3(CCN(C(=O)c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C18H22N4O2/c1-21-12-15(11-20-21)14-10-18(24-13-14)5-8-22(9-6-18)17(23)16-4-2-3-7-19-16/h2-4,7,11-12,14H,5-6,8-10,13H2,1H3
InChIKeyUKCOFXCFPJYTJX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.99
Rot. Bonds2

About [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone

[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone (PubChem CID 118744891) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
PubChem CID118744891
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
SMILESCn1cc(C2COC3(CCN(C(=O)c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C18H22N4O2/c1-21-12-15(11-20-21)14-10-18(24-13-14)5-8-22(9-6-18)17(23)16-4-2-3-7-19-16/h2-4,7,11-12,14H,5-6,8-10,13H2,1H3
InChIKeyUKCOFXCFPJYTJX-UHFFFAOYSA-N
XLogP1.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone (CID 118744891) is [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone is Cn1cc(C2COC3(CCN(C(=O)c4ccccn4)CC3)C2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The InChIKey is UKCOFXCFPJYTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-12-15(11-20-21)14-10-18(24-13-14)5-8-22(9-6-18)17(23)16-4-2-3-7-19-16/h2-4,7,11-12,14H,5-6,8-10,13H2,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118744891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).