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

C13H14FN3O — CID 115054695

IUPAC8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2cc(F)ccn12
InChIInChI=1S/C13H14FN3O/c14-10-2-4-17-12(6-10)16-11(7-13(17)18)5-9-1-3-15-8-9/h2,4,6-7,9,15H,1,3,5,8H2
InChIKeyYNNURASQYQWTBT-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.99
Rot. Bonds2

About 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054695) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054695
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2cc(F)ccn12
InChIInChI=1S/C13H14FN3O/c14-10-2-4-17-12(6-10)16-11(7-13(17)18)5-9-1-3-15-8-9/h2,4,6-7,9,15H,1,3,5,8H2
InChIKeyYNNURASQYQWTBT-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

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Related Compounds

2-[1-(2-Fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740350
2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
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
2-[1-(3-Fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741373
2-(1-Fluoropropyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741703
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054695) is 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCNC2)nc2cc(F)ccn12.
What is the InChIKey of 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YNNURASQYQWTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-2-4-17-12(6-10)16-11(7-13(17)18)5-9-1-3-15-8-9/h2,4,6-7,9,15H,1,3,5,8H2.
What are the key properties of 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
8-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 8-fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).