2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one

C18H16N2O2 — CID 42928805

IUPAC2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2ccc3c(c2)CCC3)nc2ccccn12
InChIInChI=1S/C18H16N2O2/c21-18-11-15(19-17-6-1-2-9-20(17)18)12-22-16-8-7-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2
InChIKeyMFLSNQACYNXHDZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.76
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one

2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42928805) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID42928805
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2ccc3c(c2)CCC3)nc2ccccn12
InChIInChI=1S/C18H16N2O2/c21-18-11-15(19-17-6-1-2-9-20(17)18)12-22-16-8-7-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2
InChIKeyMFLSNQACYNXHDZ-UHFFFAOYSA-N
XLogP2.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[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 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 42928805) is 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(COc2ccc3c(c2)CCC3)nc2ccccn12.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MFLSNQACYNXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18-11-15(19-17-6-1-2-9-20(17)18)12-22-16-8-7-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42928805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).