9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

C14H16FN3O — CID 115054777

IUPAC9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2c(F)cccn12
InChIInChI=1S/C14H16FN3O/c15-12-2-1-7-18-13(19)8-11(17-14(12)18)4-3-10-5-6-16-9-10/h1-2,7-8,10,16H,3-6,9H2
InChIKeyIHPGTFPADMEAEP-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.38
Rot. Bonds3

About 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054777) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054777
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2c(F)cccn12
InChIInChI=1S/C14H16FN3O/c15-12-2-1-7-18-13(19)8-11(17-14(12)18)4-3-10-5-6-16-9-10/h1-2,7-8,10,16H,3-6,9H2
InChIKeyIHPGTFPADMEAEP-UHFFFAOYSA-N
XLogP1.38
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-fluoro-2-(2-pyrrolidin-3-ylethyl)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

Related Compounds

3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
9-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039372
9-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
8-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039374
8-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039375
7-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039376
7-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039377
6-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039378

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054777) is 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCC2CCNC2)nc2c(F)cccn12.
What is the InChIKey of 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IHPGTFPADMEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-2-1-7-18-13(19)8-11(17-14(12)18)4-3-10-5-6-16-9-10/h1-2,7-8,10,16H,3-6,9H2.
What are the key properties of 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).