9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H21N3O5 — CID 97206401

IUPAC9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C18H21N3O5/c22-13-3-1-7-21-15(13)19-11-12(17(21)25)16(24)20-8-5-18(6-9-20)14(23)4-2-10-26-18/h1,3,7,11,14,22-23H,2,4-6,8-10H2/t14-/m1/s1
InChIKeyVUFHVYGLBAXUHI-CQSZACIVSA-N
MW359.38 g/mol
LogP0.55
Rot. Bonds1

About 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 97206401) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID97206401
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C18H21N3O5/c22-13-3-1-7-21-15(13)19-11-12(17(21)25)16(24)20-8-5-18(6-9-20)14(23)4-2-10-26-18/h1,3,7,11,14,22-23H,2,4-6,8-10H2/t14-/m1/s1
InChIKeyVUFHVYGLBAXUHI-CQSZACIVSA-N
XLogP0.55
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Mbl-IN-3
CID 72922413
9-hydroxy-3-{[(4S*)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70765166
9-hydroxy-3-[(5-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 74243671
9-hydroxy-3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97206402
9-hydroxy-3-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97932782
9-hydroxy-3-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97932783
3-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 154566229
3-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 163308004
2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 163308338

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 97206401) is 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(O)cccn2c1=O)N1CCC2(CC1)OCCC[C@H]2O.
What is the InChIKey of 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VUFHVYGLBAXUHI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-13-3-1-7-21-15(13)19-11-12(17(21)25)16(24)20-8-5-18(6-9-20)14(23)4-2-10-26-18/h1,3,7,11,14,22-23H,2,4-6,8-10H2/t14-/m1/s1.
What are the key properties of 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 359.38 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97206401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).