6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C23H13F3N2O4 — CID 59283458

IUPAC6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3cc(F)c2n1Cc1cc(F)ccc1F
InChIInChI=1S/C23H13F3N2O4/c24-13-3-4-15(25)12(8-13)10-28-19-16(26)9-11-5-7-32-21(11)18(19)17(20(28)23(30)31)14-2-1-6-27-22(14)29/h1-9H,10H2,(H,27,29)(H,30,31)
InChIKeyZIQZERMARWVSBX-UHFFFAOYSA-N
MW438.36 g/mol
LogP4.91
Rot. Bonds4

About 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 59283458) has the molecular formula C23H13F3N2O4 and a molecular weight of 438.36 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID59283458
Molecular FormulaC23H13F3N2O4
Molecular Weight438.36 g/mol
Exact Mass438.08
IUPAC Name6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3cc(F)c2n1Cc1cc(F)ccc1F
InChIInChI=1S/C23H13F3N2O4/c24-13-3-4-15(25)12(8-13)10-28-19-16(26)9-11-5-7-32-21(11)18(19)17(20(28)23(30)31)14-2-1-6-27-22(14)29/h1-9H,10H2,(H,27,29)(H,30,31)
InChIKeyZIQZERMARWVSBX-UHFFFAOYSA-N
XLogP4.91
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 59283458) is 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3cc(F)c2n1Cc1cc(F)ccc1F.
What is the InChIKey of 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is ZIQZERMARWVSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N2O4/c24-13-3-4-15(25)12(8-13)10-28-19-16(26)9-11-5-7-32-21(11)18(19)17(20(28)23(30)31)14-2-1-6-27-22(14)29/h1-9H,10H2,(H,27,29)(H,30,31).
What are the key properties of 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 438.36 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-difluorophenyl)methyl]-5-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 59283458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).