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

C24H16F2N2O4 — CID 25173785

IUPAC6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1cc(F)ccc1F
InChIInChI=1S/C24H16F2N2O4/c1-12-11-32-22-15(12)5-7-18-20(22)19(16-3-2-8-27-23(16)29)21(24(30)31)28(18)10-13-9-14(25)4-6-17(13)26/h2-9,11H,10H2,1H3,(H,27,29)(H,30,31)
InChIKeyJLMRVOMLQBTYII-UHFFFAOYSA-N
MW434.40 g/mol
LogP5.08
Rot. Bonds4

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

6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 25173785) has the molecular formula C24H16F2N2O4 and a molecular weight of 434.40 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID25173785
Molecular FormulaC24H16F2N2O4
Molecular Weight434.40 g/mol
Exact Mass434.11
IUPAC Name6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1cc(F)ccc1F
InChIInChI=1S/C24H16F2N2O4/c1-12-11-32-22-15(12)5-7-18-20(22)19(16-3-2-8-27-23(16)29)21(24(30)31)28(18)10-13-9-14(25)4-6-17(13)26/h2-9,11H,10H2,1H3,(H,27,29)(H,30,31)
InChIKeyJLMRVOMLQBTYII-UHFFFAOYSA-N
XLogP5.08
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.40
LogP ≤ 55.08
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]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 25173785) is 6-[(2,5-difluorophenyl)methyl]-3-methyl-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]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is Cc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1cc(F)ccc1F.
What is the InChIKey of 6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is JLMRVOMLQBTYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O4/c1-12-11-32-22-15(12)5-7-18-20(22)19(16-3-2-8-27-23(16)29)21(24(30)31)28(18)10-13-9-14(25)4-6-17(13)26/h2-9,11H,10H2,1H3,(H,27,29)(H,30,31).
What are the key properties of 6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 434.40 g/mol, XLogP of 5.08, 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]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 25173785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).