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

C23H16F2N2O4 — CID 25173543

IUPAC6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3
InChIInChI=1S/C23H16F2N2O4/c24-14-4-5-16(25)13(10-14)11-27-17-6-3-12-7-9-31-21(12)19(17)18(20(27)23(29)30)15-2-1-8-26-22(15)28/h1-6,8,10H,7,9,11H2,(H,26,28)(H,29,30)
InChIKeyGNDBSUFPFNRHOV-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.96
Rot. Bonds4

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

6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 25173543) has the molecular formula C23H16F2N2O4 and a molecular weight of 422.39 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
PubChem CID25173543
Molecular FormulaC23H16F2N2O4
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC Name6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3
InChIInChI=1S/C23H16F2N2O4/c24-14-4-5-16(25)13(10-14)11-27-17-6-3-12-7-9-31-21(12)19(17)18(20(27)23(29)30)15-2-1-8-26-22(15)28/h1-6,8,10H,7,9,11H2,(H,26,28)(H,29,30)
InChIKeyGNDBSUFPFNRHOV-UHFFFAOYSA-N
XLogP3.96
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.96
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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 25173543) is 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3.
What is the InChIKey of 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The InChIKey is GNDBSUFPFNRHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O4/c24-14-4-5-16(25)13(10-14)11-27-17-6-3-12-7-9-31-21(12)19(17)18(20(27)23(29)30)15-2-1-8-26-22(15)28/h1-6,8,10H,7,9,11H2,(H,26,28)(H,29,30).
What are the key properties of 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 422.39 g/mol, XLogP of 3.96, 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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 25173543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).