6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H24N4O4 — CID 163313674

IUPAC6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC4(CC3)CC(C)(O)CCO4)c(=O)n2[nH]1
InChIInChI=1S/C18H24N4O4/c1-12-9-14-19-10-13(16(24)22(14)20-12)15(23)21-6-3-18(4-7-21)11-17(2,25)5-8-26-18/h9-10,20,25H,3-8,11H2,1-2H3
InChIKeyZORSTJUOQJPHFS-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.87
Rot. Bonds1

About 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 163313674) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID163313674
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC4(CC3)CC(C)(O)CCO4)c(=O)n2[nH]1
InChIInChI=1S/C18H24N4O4/c1-12-9-14-19-10-13(16(24)22(14)20-12)15(23)21-6-3-18(4-7-21)11-17(2,25)5-8-26-18/h9-10,20,25H,3-8,11H2,1-2H3
InChIKeyZORSTJUOQJPHFS-UHFFFAOYSA-N
XLogP0.87
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-{[(3R*,4R*)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-1-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70764501
6-{[(3R*,5R*)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70777490
6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 78084834
6-[(3S,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133113251
6-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 154570209
5-{[rel-(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undec-9-yl]methyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 154570214
6-{[rel-(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propyl-1-piperidinyl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one formate
CID 155917060
formic acid;6-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155971801
6-{[rel-(1R,5R)-1-methoxy-7-azaspiro[4.5]dec-7-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 164691828
6-{[rel-(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undec-2-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one formate
CID 165428406
formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166598875

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 163313674) is 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCC4(CC3)CC(C)(O)CCO4)c(=O)n2[nH]1.
What is the InChIKey of 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZORSTJUOQJPHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-9-14-19-10-13(16(24)22(14)20-12)15(23)21-6-3-18(4-7-21)11-17(2,25)5-8-26-18/h9-10,20,25H,3-8,11H2,1-2H3.
What are the key properties of 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.41 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 163313674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).