8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane

C21H30N4O2 — CID 131649042

IUPAC8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)OCCC3CCOc2ccccn2)cn1
InChIInChI=1S/C21H30N4O2/c1-2-25-17-18(15-23-25)16-24-11-8-21(9-12-24)19(7-14-27-21)6-13-26-20-5-3-4-10-22-20/h3-5,10,15,17,19H,2,6-9,11-14,16H2,1H3
InChIKeyBIMHTULBYRSACT-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.14
Rot. Bonds7

About 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane

8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131649042) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID131649042
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)OCCC3CCOc2ccccn2)cn1
InChIInChI=1S/C21H30N4O2/c1-2-25-17-18(15-23-25)16-24-11-8-21(9-12-24)19(7-14-27-21)6-13-26-20-5-3-4-10-22-20/h3-5,10,15,17,19H,2,6-9,11-14,16H2,1H3
InChIKeyBIMHTULBYRSACT-UHFFFAOYSA-N
XLogP3.14
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124810668
1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
(4R)-8-methylsulfonyl-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783917
(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131640842
(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124830836
4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131658499
4-(2-ethoxyethyl)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 133141822
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124818161
(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124817136
(2-methylfuran-3-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131651853
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 124796583

Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane (CID 131649042) is 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane is CCn1cc(CN2CCC3(CC2)OCCC3CCOc2ccccn2)cn1.
What is the InChIKey of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is BIMHTULBYRSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-2-25-17-18(15-23-25)16-24-11-8-21(9-12-24)19(7-14-27-21)6-13-26-20-5-3-4-10-22-20/h3-5,10,15,17,19H,2,6-9,11-14,16H2,1H3.
What are the key properties of 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 370.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131649042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).