2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid

C13H11FN2O4 — CID 175170640

IUPAC2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid
SMILESCON1C(=O)n2c(cc3ccc(F)cc32)C1CC(=O)O
InChIInChI=1S/C13H11FN2O4/c1-20-16-11(6-12(17)18)10-4-7-2-3-8(14)5-9(7)15(10)13(16)19/h2-5,11H,6H2,1H3,(H,17,18)
InChIKeyMYIDMFWZDMCAJD-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.14
Rot. Bonds3

About 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid

2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid (PubChem CID 175170640) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid
PubChem CID175170640
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid
SMILESCON1C(=O)n2c(cc3ccc(F)cc32)C1CC(=O)O
InChIInChI=1S/C13H11FN2O4/c1-20-16-11(6-12(17)18)10-4-7-2-3-8(14)5-9(7)15(10)13(16)19/h2-5,11H,6H2,1H3,(H,17,18)
InChIKeyMYIDMFWZDMCAJD-UHFFFAOYSA-N
XLogP2.14
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid (CID 175170640) is 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid is CON1C(=O)n2c(cc3ccc(F)cc32)C1CC(=O)O.
What is the InChIKey of 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid?
The InChIKey is MYIDMFWZDMCAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-20-16-11(6-12(17)18)10-4-7-2-3-8(14)5-9(7)15(10)13(16)19/h2-5,11H,6H2,1H3,(H,17,18).
What are the key properties of 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid?
2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid has a molecular weight of 278.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetic acid is sourced from PubChem (CID 175170640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).