3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

C14H19N5O2 — CID 102930513

IUPAC3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCn1ncc2c(OC3COC4(CCNCC4)C3)ncnc21
InChIInChI=1S/C14H19N5O2/c1-19-12-11(7-18-19)13(17-9-16-12)21-10-6-14(20-8-10)2-4-15-5-3-14/h7,9-10,15H,2-6,8H2,1H3
InChIKeyGYNJCCWEBWRYBQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.65
Rot. Bonds2

About 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930513) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930513
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCn1ncc2c(OC3COC4(CCNCC4)C3)ncnc21
InChIInChI=1S/C14H19N5O2/c1-19-12-11(7-18-19)13(17-9-16-12)21-10-6-14(20-8-10)2-4-15-5-3-14/h7,9-10,15H,2-6,8H2,1H3
InChIKeyGYNJCCWEBWRYBQ-UHFFFAOYSA-N
XLogP0.65
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 14410743
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)oxolan-3-ol
CID 14410747
2-(5-Ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine
CID 59680667
(2R,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)oxolan-3-ol
CID 70990868
(2R,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 70990899
(S)-4-(piperidin-3-yloxy)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 86706463
6-chloro-4-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine
CID 176593794
4-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine-6-carbonitrile
CID 176593916
6-Amino-4-methoxy-1-(2-deoxy-|A-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 14056406
(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14410745
(2R,3S,5S)-5-(6-amino-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 21603072
(2R,3S,5S)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 21605996

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (CID 102930513) is 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is Cn1ncc2c(OC3COC4(CCNCC4)C3)ncnc21.
What is the InChIKey of 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GYNJCCWEBWRYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19-12-11(7-18-19)13(17-9-16-12)21-10-6-14(20-8-10)2-4-15-5-3-14/h7,9-10,15H,2-6,8H2,1H3.
What are the key properties of 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 289.34 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).