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

C14H16FN3O — CID 115054728

IUPAC8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2cc(F)ccn12
InChIInChI=1S/C14H16FN3O/c15-11-4-6-18-13(7-11)17-12(8-14(18)19)2-1-10-3-5-16-9-10/h4,6-8,10,16H,1-3,5,9H2
InChIKeyJVZIXWWEPZDARW-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.38
Rot. Bonds3

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

8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054728) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054728
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2cc(F)ccn12
InChIInChI=1S/C14H16FN3O/c15-11-4-6-18-13(7-11)17-12(8-14(18)19)2-1-10-3-5-16-9-10/h4,6-8,10,16H,1-3,5,9H2
InChIKeyJVZIXWWEPZDARW-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

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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
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
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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054728) is 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCC2CCNC2)nc2cc(F)ccn12.
What is the InChIKey of 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JVZIXWWEPZDARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-4-6-18-13(7-11)17-12(8-14(18)19)2-1-10-3-5-16-9-10/h4,6-8,10,16H,1-3,5,9H2.
What are the key properties of 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
8-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 8-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).