6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one

C15H19ClN4O3 — CID 156527371

IUPAC6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
SMILESCCO[C@H]1CN(c2nc(=O)n(C)c3ccc(Cl)nc23)CC[C@H]1O
InChIInChI=1S/C15H19ClN4O3/c1-3-23-11-8-20(7-6-10(11)21)14-13-9(4-5-12(16)17-13)19(2)15(22)18-14/h4-5,10-11,21H,3,6-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyGAHMUGLMMSEHSP-MNOVXSKESA-N
MW338.80 g/mol
LogP0.96
Rot. Bonds3

About 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one

6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one (PubChem CID 156527371) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
PubChem CID156527371
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
SMILESCCO[C@H]1CN(c2nc(=O)n(C)c3ccc(Cl)nc23)CC[C@H]1O
InChIInChI=1S/C15H19ClN4O3/c1-3-23-11-8-20(7-6-10(11)21)14-13-9(4-5-12(16)17-13)19(2)15(22)18-14/h4-5,10-11,21H,3,6-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyGAHMUGLMMSEHSP-MNOVXSKESA-N
XLogP0.96
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-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 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one (CID 156527371) is 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one is CCO[C@H]1CN(c2nc(=O)n(C)c3ccc(Cl)nc23)CC[C@H]1O.
What is the InChIKey of 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
The InChIKey is GAHMUGLMMSEHSP-MNOVXSKESA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-3-23-11-8-20(7-6-10(11)21)14-13-9(4-5-12(16)17-13)19(2)15(22)18-14/h4-5,10-11,21H,3,6-8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one?
6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one has a molecular weight of 338.80 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 156527371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).