(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C17H22N4O2 — CID 134073960

IUPAC(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCCC1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1
InChIInChI=1S/C17H22N4O2/c1-2-13-9-17(23-11-13)5-3-7-20(12-17)16(22)14-10-19-21-8-4-6-18-15(14)21/h4,6,8,10,13H,2-3,5,7,9,11-12H2,1H3
InChIKeyXSXKOBRMVDDSHP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.15
Rot. Bonds2

About (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 134073960) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID134073960
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCCC1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1
InChIInChI=1S/C17H22N4O2/c1-2-13-9-17(23-11-13)5-3-7-20(12-17)16(22)14-10-19-21-8-4-6-18-15(14)21/h4,6,8,10,13H,2-3,5,7,9,11-12H2,1H3
InChIKeyXSXKOBRMVDDSHP-UHFFFAOYSA-N
XLogP2.15
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414442
3-[1-({6-[(Diethylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}carbonyl)piperidin-3-yl]propan-1-ol
CID 56752036
N-ethyl-N-[(3-{[3-(methoxymethyl)piperidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56752913
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 95212994
(5S,7R)-10-fluoro-16,16-dimethyl-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353861
(5S,7R)-10-fluoro-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353871
(5S,7R,12R)-9-[(E)-2-fluoroprop-1-enyl]imino-12-methyl-8-methylidene-10-oxa-2,13,17,18,21-pentazapentacyclo[13.5.2.02,7.05,7.018,22]docosa-1(21),15(22),16,19-tetraen-14-one
CID 156353882
(5S,7R)-12-fluoro-9-[(E)-2-fluoroprop-1-enyl]imino-8-methylidene-10-oxa-2,13,17,18,21-pentazapentacyclo[13.5.2.02,7.05,7.018,22]docosa-1(21),15(22),16,19-tetraen-14-one
CID 156353925
(9S,11aR)-9-cyclohexyl-4-(3-fluoropyrazolo[1,5-a]pyrimidin-7-yl)-2,3,5,6,9,10,11,11a-octahydropyrrolo[2,1-b][1,3,7]oxadiazonin-7-one
CID 168244869
N-ethyl-N-[(3-{[4-(1H-pyrazol-1-ylmethyl)piperidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56740869
[3-(Morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155851758
[3-[[2-Methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155857254

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 134073960) is (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CCC1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1.
What is the InChIKey of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is XSXKOBRMVDDSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-13-9-17(23-11-13)5-3-7-20(12-17)16(22)14-10-19-21-8-4-6-18-15(14)21/h4,6,8,10,13H,2-3,5,7,9,11-12H2,1H3.
What are the key properties of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 134073960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).