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

C23H13ClF2N2O4 — CID 25173546

IUPAC3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occ(Cl)c3ccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C23H13ClF2N2O4/c24-15-10-32-21-13(15)4-6-17-19(21)18(14-2-1-7-27-22(14)29)20(23(30)31)28(17)9-11-8-12(25)3-5-16(11)26/h1-8,10H,9H2,(H,27,29)(H,30,31)
InChIKeyUXGSMPUJSSJGBF-UHFFFAOYSA-N
MW454.82 g/mol
LogP5.42
Rot. Bonds4

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

3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 25173546) has the molecular formula C23H13ClF2N2O4 and a molecular weight of 454.82 g/mol. Its IUPAC name is 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID25173546
Molecular FormulaC23H13ClF2N2O4
Molecular Weight454.82 g/mol
Exact Mass454.05
IUPAC Name3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occ(Cl)c3ccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C23H13ClF2N2O4/c24-15-10-32-21-13(15)4-6-17-19(21)18(14-2-1-7-27-22(14)29)20(23(30)31)28(17)9-11-8-12(25)3-5-16(11)26/h1-8,10H,9H2,(H,27,29)(H,30,31)
InChIKeyUXGSMPUJSSJGBF-UHFFFAOYSA-N
XLogP5.42
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.82
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 25173546) is 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occ(Cl)c3ccc2n1Cc1cc(F)ccc1F.
What is the InChIKey of 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is UXGSMPUJSSJGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF2N2O4/c24-15-10-32-21-13(15)4-6-17-19(21)18(14-2-1-7-27-22(14)29)20(23(30)31)28(17)9-11-8-12(25)3-5-16(11)26/h1-8,10H,9H2,(H,27,29)(H,30,31).
What are the key properties of 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 454.82 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 25173546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).