5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H28N4O3 — CID 154570214

IUPAC5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(Cc3cc(=O)n4[nH]c(C)cc4n3)CC2)O1
InChIInChI=1S/C19H28N4O3/c1-3-16-10-15(24)11-19(26-16)4-6-22(7-5-19)12-14-9-18(25)23-17(20-14)8-13(2)21-23/h8-9,15-16,21,24H,3-7,10-12H2,1-2H3/t15-,16+/m1/s1
InChIKeySHBSASYKVPBKRW-CVEARBPZSA-N
MW360.46 g/mol
LogP1.62
Rot. Bonds3

About 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 154570214) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID154570214
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(Cc3cc(=O)n4[nH]c(C)cc4n3)CC2)O1
InChIInChI=1S/C19H28N4O3/c1-3-16-10-15(24)11-19(26-16)4-6-22(7-5-19)12-14-9-18(25)23-17(20-14)8-13(2)21-23/h8-9,15-16,21,24H,3-7,10-12H2,1-2H3/t15-,16+/m1/s1
InChIKeySHBSASYKVPBKRW-CVEARBPZSA-N
XLogP1.62
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{[rac-(4aS,6aS,10aS,10bS)-10a-hydroxyoctahydro-1H,3H-dipyrano[4,3-b:4',3'-d]pyridin-5(6H)-yl]methyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 118772438
5-[[(1R,2R,7R,10R)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133544832
5-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 154568127
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-(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propyl-1-piperidinyl]methyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 155506321
6-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 163313674

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 154570214) is 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC[C@H]1C[C@@H](O)CC2(CCN(Cc3cc(=O)n4[nH]c(C)cc4n3)CC2)O1.
What is the InChIKey of 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SHBSASYKVPBKRW-CVEARBPZSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-16-10-15(24)11-19(26-16)4-6-22(7-5-19)12-14-9-18(25)23-17(20-14)8-13(2)21-23/h8-9,15-16,21,24H,3-7,10-12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.46 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 154570214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).