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

C13H14FN3O — CID 115054593

IUPAC6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2cccc(F)n12
InChIInChI=1S/C13H14FN3O/c14-11-2-1-3-12-16-10(7-13(18)17(11)12)6-9-4-5-15-8-9/h1-3,7,9,15H,4-6,8H2
InChIKeyCHVATMGFLUKRBO-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.99
Rot. Bonds2

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

6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054593) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054593
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2cccc(F)n12
InChIInChI=1S/C13H14FN3O/c14-11-2-1-3-12-16-10(7-13(18)17(11)12)6-9-4-5-15-8-9/h1-3,7,9,15H,4-6,8H2
InChIKeyCHVATMGFLUKRBO-UHFFFAOYSA-N
XLogP0.99
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.99
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-(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
2-(5,6-dihydro-4H-imidazo[1,2-a]pyridin-4-ium-7-yl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 157784066
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-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052041

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054593) is 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCNC2)nc2cccc(F)n12.
What is the InChIKey of 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CHVATMGFLUKRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-2-1-3-12-16-10(7-13(18)17(11)12)6-9-4-5-15-8-9/h1-3,7,9,15H,4-6,8H2.
What are the key properties of 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 247.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).