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

C13H12F3N3O — CID 115052043

IUPAC2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-2-4-19-11(5-9)18-10(6-12(19)20)8-1-3-17-7-8/h2,4-6,8,17H,1,3,7H2
InChIKeyQBXXDKINEOVSAT-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.79
Rot. Bonds1

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

2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115052043) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115052043
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-2-4-19-11(5-9)18-10(6-12(19)20)8-1-3-17-7-8/h2,4-6,8,17H,1,3,7H2
InChIKeyQBXXDKINEOVSAT-UHFFFAOYSA-N
XLogP1.79
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-1-[3-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)pyrrolidin-1-yl]propan-1-one
CID 136265496
8-Propan-2-yl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409490
8-Propan-2-yl-2-(1,1,2-trifluoroethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156440401
8-Propan-2-yl-2-(2,2,2-trifluoroethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156440402
8-Propan-2-yl-2-(1,2,2-trifluoroethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156440404
3-Methyl-8-propan-2-yl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156454921
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

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115052043) is 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QBXXDKINEOVSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-2-4-19-11(5-9)18-10(6-12(19)20)8-1-3-17-7-8/h2,4-6,8,17H,1,3,7H2.
What are the key properties of 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115052043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).