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

C14H16FN3O — CID 115054628

IUPAC6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2cccc(F)n12
InChIInChI=1S/C14H16FN3O/c15-12-2-1-3-13-17-11(8-14(19)18(12)13)5-4-10-6-7-16-9-10/h1-3,8,10,16H,4-7,9H2
InChIKeyOCJSNVCEHAUHND-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.38
Rot. Bonds3

About 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054628) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054628
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2cccc(F)n12
InChIInChI=1S/C14H16FN3O/c15-12-2-1-3-13-17-11(8-14(19)18(12)13)5-4-10-6-7-16-9-10/h1-3,8,10,16H,4-7,9H2
InChIKeyOCJSNVCEHAUHND-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

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
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
6-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039379
2-Pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052043
2-Pyrrolidin-3-yl-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052045
2-Pyrrolidin-3-yl-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052047

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054628) is 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCC2CCNC2)nc2cccc(F)n12.
What is the InChIKey of 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OCJSNVCEHAUHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-2-1-3-13-17-11(8-14(19)18(12)13)5-4-10-6-7-16-9-10/h1-3,8,10,16H,4-7,9H2.
What are the key properties of 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
6-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 6-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).