2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one

C22H27FN4O2 — CID 142511458

IUPAC2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCN(CCC)c1ccc2nc(-c3cnc(OC)c(F)c3)cc(=O)n2c1
InChIInChI=1S/C22H27FN4O2/c1-4-6-7-11-26(10-5-2)17-8-9-20-25-19(13-21(28)27(20)15-17)16-12-18(23)22(29-3)24-14-16/h8-9,12-15H,4-7,10-11H2,1-3H3
InChIKeyGCJLNXWOFWQTFR-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.31
Rot. Bonds9

About 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one

2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511458) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID142511458
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCN(CCC)c1ccc2nc(-c3cnc(OC)c(F)c3)cc(=O)n2c1
InChIInChI=1S/C22H27FN4O2/c1-4-6-7-11-26(10-5-2)17-8-9-20-25-19(13-21(28)27(20)15-17)16-12-18(23)22(29-3)24-14-16/h8-9,12-15H,4-7,10-11H2,1-3H3
InChIKeyGCJLNXWOFWQTFR-UHFFFAOYSA-N
XLogP4.31
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]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-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one (CID 142511458) is 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one is CCCCCN(CCC)c1ccc2nc(-c3cnc(OC)c(F)c3)cc(=O)n2c1.
What is the InChIKey of 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GCJLNXWOFWQTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-4-6-7-11-26(10-5-2)17-8-9-20-25-19(13-21(28)27(20)15-17)16-12-18(23)22(29-3)24-14-16/h8-9,12-15H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one?
2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 398.48 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).