3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one

C11H12F3N3O — CID 171437377

IUPAC3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1ccc2c(c(N)cn2CC(F)(F)F)c1=O
InChIInChI=1S/C11H12F3N3O/c1-2-16-4-3-8-9(10(16)18)7(15)5-17(8)6-11(12,13)14/h3-5H,2,6,15H2,1H3
InChIKeyWJTRJKZZKHYVMV-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.97
Rot. Bonds2

About 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one

3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one (PubChem CID 171437377) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one
PubChem CID171437377
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1ccc2c(c(N)cn2CC(F)(F)F)c1=O
InChIInChI=1S/C11H12F3N3O/c1-2-16-4-3-8-9(10(16)18)7(15)5-17(8)6-11(12,13)14/h3-5H,2,6,15H2,1H3
InChIKeyWJTRJKZZKHYVMV-UHFFFAOYSA-N
XLogP1.97
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 104505641
5-amino-1-ethyl-3-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64553758
ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate
CID 171436974
4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 70237327
4-ethyl-2-(2,2,2-trifluoroethyl)isoquinolin-1-one
CID 90169151
8-amino-6-(2-aminopyrimidin-5-yl)-2,7-diethylisoquinolin-1-one
CID 123586103
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63801147
5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 63799404
8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one
CID 82379584
5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 115513897
5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 104505753
2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 162562187

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one (CID 171437377) is 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one is CCn1ccc2c(c(N)cn2CC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WJTRJKZZKHYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-2-16-4-3-8-9(10(16)18)7(15)5-17(8)6-11(12,13)14/h3-5H,2,6,15H2,1H3.
What are the key properties of 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one?
3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 259.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 171437377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).