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

C19H24N4O3 — CID 131662155

IUPAC(2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)CC(OCc1cccnc1)CO2
InChIInChI=1S/C19H24N4O3/c1-22-17(4-8-21-22)18(24)23-9-5-19(6-10-23)11-16(14-26-19)25-13-15-3-2-7-20-12-15/h2-4,7-8,12,16H,5-6,9-11,13-14H2,1H3
InChIKeyRLNGGWGIOHSLBN-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.80
Rot. Bonds4

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

(2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 131662155) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID131662155
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)CC(OCc1cccnc1)CO2
InChIInChI=1S/C19H24N4O3/c1-22-17(4-8-21-22)18(24)23-9-5-19(6-10-23)11-16(14-26-19)25-13-15-3-2-7-20-12-15/h2-4,7-8,12,16H,5-6,9-11,13-14H2,1H3
InChIKeyRLNGGWGIOHSLBN-UHFFFAOYSA-N
XLogP1.80
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131659490
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166
1-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 131697114
cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419741
(2-methylpyrazol-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419569
(3S,5S)-3-(pyridin-3-ylmethoxy)-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155863457
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419504
(3R,5S)-7-cyclopropylsulfonyl-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97420002
(1-methylpyrrol-2-yl)-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395044
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97371236

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 131662155) is (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cn1nccc1C(=O)N1CCC2(CC1)CC(OCc1cccnc1)CO2.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is RLNGGWGIOHSLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-17(4-8-21-22)18(24)23-9-5-19(6-10-23)11-16(14-26-19)25-13-15-3-2-7-20-12-15/h2-4,7-8,12,16H,5-6,9-11,13-14H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131662155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).