3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C20H25N3O3 — CID 164698525

IUPAC3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cnc3cccc(C)n3c1=O)C2
InChIInChI=1S/C20H25N3O3/c1-14-6-3-8-17-21-12-15(19(25)23(14)17)18(24)22-11-5-10-20(13-22)9-4-7-16(20)26-2/h3,6,8,12,16H,4-5,7,9-11,13H2,1-2H3/t16-,20+/m1/s1
InChIKeyRQXYJKJMOKYBEI-UZLBHIALSA-N
MW355.44 g/mol
LogP2.42
Rot. Bonds2

About 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 164698525) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID164698525
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cnc3cccc(C)n3c1=O)C2
InChIInChI=1S/C20H25N3O3/c1-14-6-3-8-17-21-12-15(19(25)23(14)17)18(24)22-11-5-10-20(13-22)9-4-7-16(20)26-2/h3,6,8,12,16H,4-5,7,9-11,13H2,1-2H3/t16-,20+/m1/s1
InChIKeyRQXYJKJMOKYBEI-UZLBHIALSA-N
XLogP2.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 164698525) is 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cnc3cccc(C)n3c1=O)C2.
What is the InChIKey of 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RQXYJKJMOKYBEI-UZLBHIALSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-6-3-8-17-21-12-15(19(25)23(14)17)18(24)22-11-5-10-20(13-22)9-4-7-16(20)26-2/h3,6,8,12,16H,4-5,7,9-11,13H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164698525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).