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

C23H14F2N2O4 — CID 25173464

IUPAC6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3ccoc3ccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C23H14F2N2O4/c24-13-3-4-16(25)12(10-13)11-27-17-5-6-18-14(7-9-31-18)19(17)20(21(27)23(29)30)15-2-1-8-26-22(15)28/h1-10H,11H2,(H,26,28)(H,29,30)
InChIKeyIFXPCAPSJXKRQM-UHFFFAOYSA-N
MW420.37 g/mol
LogP4.77
Rot. Bonds4

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

6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid (PubChem CID 25173464) has the molecular formula C23H14F2N2O4 and a molecular weight of 420.37 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid
PubChem CID25173464
Molecular FormulaC23H14F2N2O4
Molecular Weight420.37 g/mol
Exact Mass420.09
IUPAC Name6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3ccoc3ccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C23H14F2N2O4/c24-13-3-4-16(25)12(10-13)11-27-17-5-6-18-14(7-9-31-18)19(17)20(21(27)23(29)30)15-2-1-8-26-22(15)28/h1-10H,11H2,(H,26,28)(H,29,30)
InChIKeyIFXPCAPSJXKRQM-UHFFFAOYSA-N
XLogP4.77
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.77
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]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid (CID 25173464) is 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3ccoc3ccc2n1Cc1cc(F)ccc1F.
What is the InChIKey of 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid?
The InChIKey is IFXPCAPSJXKRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N2O4/c24-13-3-4-16(25)12(10-13)11-27-17-5-6-18-14(7-9-31-18)19(17)20(21(27)23(29)30)15-2-1-8-26-22(15)28/h1-10H,11H2,(H,26,28)(H,29,30).
What are the key properties of 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid?
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid has a molecular weight of 420.37 g/mol, XLogP of 4.77, 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]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid is sourced from PubChem (CID 25173464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).