3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C19H23N3O4 — CID 70742841

IUPAC3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc3cccc(C)n3c1=O)CC2
InChIInChI=1S/C19H23N3O4/c1-12-4-3-5-16-20-11-13(18(25)22(12)16)17(24)21-8-6-19(7-9-21)14(23)10-15(19)26-2/h3-5,11,14-15,23H,6-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyOBZXHGRKVIRBDX-CABCVRRESA-N
MW357.41 g/mol
LogP1.00
Rot. Bonds2

About 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 70742841) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID70742841
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc3cccc(C)n3c1=O)CC2
InChIInChI=1S/C19H23N3O4/c1-12-4-3-5-16-20-11-13(18(25)22(12)16)17(24)21-8-6-19(7-9-21)14(23)10-15(19)26-2/h3-5,11,14-15,23H,6-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyOBZXHGRKVIRBDX-CABCVRRESA-N
XLogP1.00
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 70742841) is 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc3cccc(C)n3c1=O)CC2.
What is the InChIKey of 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OBZXHGRKVIRBDX-CABCVRRESA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-4-3-5-16-20-11-13(18(25)22(12)16)17(24)21-8-6-19(7-9-21)14(23)10-15(19)26-2/h3-5,11,14-15,23H,6-10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 357.41 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70742841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).