[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C20H27N5O3 — CID 97397213

IUPAC[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1
InChIInChI=1S/C20H27N5O3/c26-19(17-12-22-25-6-2-4-21-18(17)25)24-5-1-3-20(15-24)11-16(14-28-20)13-23-7-9-27-10-8-23/h2,4,6,12,16H,1,3,5,7-11,13-15H2/t16-,20+/m1/s1
InChIKeyWPXNLNCLNINSJM-UZLBHIALSA-N
MW385.47 g/mol
LogP1.07
Rot. Bonds3

About [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 97397213) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID97397213
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1
InChIInChI=1S/C20H27N5O3/c26-19(17-12-22-25-6-2-4-21-18(17)25)24-5-1-3-20(15-24)11-16(14-28-20)13-23-7-9-27-10-8-23/h2,4,6,12,16H,1,3,5,7-11,13-15H2/t16-,20+/m1/s1
InChIKeyWPXNLNCLNINSJM-UZLBHIALSA-N
XLogP1.07
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97395204
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97394035
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 131646194
(3-methyl-1,2-oxazol-4-yl)-[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072585
[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 131642214
pyridin-2-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134079023
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494089
pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
CID 127918005
[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033
3-(morpholin-4-ylmethyl)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155835612
[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 131644624
3H-benzimidazol-5-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072574

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 97397213) is [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is O=C(c1cnn2cccnc12)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is WPXNLNCLNINSJM-UZLBHIALSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-19(17-12-22-25-6-2-4-21-18(17)25)24-5-1-3-20(15-24)11-16(14-28-20)13-23-7-9-27-10-8-23/h2,4,6,12,16H,1,3,5,7-11,13-15H2/t16-,20+/m1/s1.
What are the key properties of [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 385.47 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 97397213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).