(5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one

C15H18N4O2 — CID 97136161

IUPAC(5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1cnn2cccnc12
InChIInChI=1S/C15H18N4O2/c20-13-2-3-15(4-7-21-11-15)10-18(13)9-12-8-17-19-6-1-5-16-14(12)19/h1,5-6,8H,2-4,7,9-11H2/t15-/m0/s1
InChIKeyPSMMGHAYGMXEDO-HNNXBMFYSA-N
MW286.33 g/mol
LogP1.26
Rot. Bonds2

About (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one

(5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97136161) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97136161
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1cnn2cccnc12
InChIInChI=1S/C15H18N4O2/c20-13-2-3-15(4-7-21-11-15)10-18(13)9-12-8-17-19-6-1-5-16-14(12)19/h1,5-6,8H,2-4,7,9-11H2/t15-/m0/s1
InChIKeyPSMMGHAYGMXEDO-HNNXBMFYSA-N
XLogP1.26
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate
CID 134796775
[3-[[2-Methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 131654289
(3-Methyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 134073958
2-(3-Methoxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70726262
2-(Tetrahydrofuran-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70728447
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72893047
7-(Pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72896615
2-[[(2S)-oxolan-2-yl]methyl]-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122164
2-[[(2R)-oxolan-2-yl]methyl]-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122165
(5R)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97136160
(3R)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
CID 97199479
(3S)-1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
CID 97199480

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97136161) is (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CC[C@]2(CCOC2)CN1Cc1cnn2cccnc12.
What is the InChIKey of (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is PSMMGHAYGMXEDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-13-2-3-15(4-7-21-11-15)10-18(13)9-12-8-17-19-6-1-5-16-14(12)19/h1,5-6,8H,2-4,7,9-11H2/t15-/m0/s1.
What are the key properties of (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
(5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 286.33 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97136161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).