3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H21N3O3 — CID 164690382

IUPAC3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C18H21N3O3/c22-14-5-3-7-18(14)8-4-9-20(12-18)16(23)13-11-19-15-6-1-2-10-21(15)17(13)24/h1-2,6,10-11,14,22H,3-5,7-9,12H2/t14-,18+/m1/s1
InChIKeyPAGKKYWURDGSHO-KDOFPFPSSA-N
MW327.38 g/mol
LogP1.46
Rot. Bonds1

About 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 164690382) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID164690382
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C18H21N3O3/c22-14-5-3-7-18(14)8-4-9-20(12-18)16(23)13-11-19-15-6-1-2-10-21(15)17(13)24/h1-2,6,10-11,14,22H,3-5,7-9,12H2/t14-,18+/m1/s1
InChIKeyPAGKKYWURDGSHO-KDOFPFPSSA-N
XLogP1.46
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 164690382) is 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCC[C@@]2(CCC[C@H]2O)C1.
What is the InChIKey of 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PAGKKYWURDGSHO-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-14-5-3-7-18(14)8-4-9-20(12-18)16(23)13-11-19-15-6-1-2-10-21(15)17(13)24/h1-2,6,10-11,14,22H,3-5,7-9,12H2/t14-,18+/m1/s1.
What are the key properties of 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164690382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).