7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C13H11FN4O3 — CID 176905688

IUPAC7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(F)c2nc(O)c(-c3nc(C)no3)c(=O)n2c1
InChIInChI=1S/C13H11FN4O3/c1-3-7-4-8(14)10-16-11(19)9(13(20)18(10)5-7)12-15-6(2)17-21-12/h4-5,19H,3H2,1-2H3
InChIKeyCGQVREVDDNPAAU-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.46
Rot. Bonds2

About 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176905688) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID176905688
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(F)c2nc(O)c(-c3nc(C)no3)c(=O)n2c1
InChIInChI=1S/C13H11FN4O3/c1-3-7-4-8(14)10-16-11(19)9(13(20)18(10)5-7)12-15-6(2)17-21-12/h4-5,19H,3H2,1-2H3
InChIKeyCGQVREVDDNPAAU-UHFFFAOYSA-N
XLogP1.46
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
CID 137434132
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
CID 176715514
2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 154932875
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 137434506
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434175
methyl 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 172533149

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 176905688) is 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCc1cc(F)c2nc(O)c(-c3nc(C)no3)c(=O)n2c1.
What is the InChIKey of 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CGQVREVDDNPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-3-7-4-8(14)10-16-11(19)9(13(20)18(10)5-7)12-15-6(2)17-21-12/h4-5,19H,3H2,1-2H3.
What are the key properties of 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 290.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176905688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).