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

C95H70F4N8O16 — CID 158555123

IUPAC6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCCc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1ccccc1F.Cc1ccccc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1ccccc1F)CCO3
InChIInChI=1S/C25H19FN2O4.C24H18N2O4.C23H16F2N2O4.C23H17FN2O4/c1-2-14-13-32-23-16(14)9-10-19-21(23)20(17-7-5-11-27-24(17)29)22(25(30)31)28(19)12-15-6-3-4-8-18(15)26;1-14-5-2-3-6-16(14)13-26-18-9-8-15-10-12-30-22(15)20(18)19(21(26)24(28)29)17-7-4-11-25-23(17)27;24-14-4-5-16(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;24-16-6-2-1-4-14(16)12-26-17-8-7-13-9-11-30-21(13)19(17)18(20(26)23(28)29)15-5-3-10-25-22(15)27/h3-11,13H,2,12H2,1H3,(H,27,29)(H,30,31);2-12H,13H2,1H3,(H,25,27)(H,28,29);1-6,8,10H,7,9,11H2,(H,26,28)(H,29,30);1-8,10H,9,11-12H2,(H,25,27)(H,28,29)
InChIKeyHQERDCSTTBOSRA-UHFFFAOYSA-N
MW1655.64 g/mol
LogP17.76
Rot. Bonds17

About 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 158555123) has the molecular formula C95H70F4N8O16 and a molecular weight of 1655.64 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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID158555123
Molecular FormulaC95H70F4N8O16
Molecular Weight1655.64 g/mol
Exact Mass1654.48
IUPAC Name6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCCc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1ccccc1F.Cc1ccccc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1ccccc1F)CCO3
InChIInChI=1S/C25H19FN2O4.C24H18N2O4.C23H16F2N2O4.C23H17FN2O4/c1-2-14-13-32-23-16(14)9-10-19-21(23)20(17-7-5-11-27-24(17)29)22(25(30)31)28(19)12-15-6-3-4-8-18(15)26;1-14-5-2-3-6-16(14)13-26-18-9-8-15-10-12-30-22(15)20(18)19(21(26)24(28)29)17-7-4-11-25-23(17)27;24-14-4-5-16(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;24-16-6-2-1-4-14(16)12-26-17-8-7-13-9-11-30-21(13)19(17)18(20(26)23(28)29)15-5-3-10-25-22(15)27/h3-11,13H,2,12H2,1H3,(H,27,29)(H,30,31);2-12H,13H2,1H3,(H,25,27)(H,28,29);1-6,8,10H,7,9,11H2,(H,26,28)(H,29,30);1-8,10H,9,11-12H2,(H,25,27)(H,28,29)
InChIKeyHQERDCSTTBOSRA-UHFFFAOYSA-N
XLogP17.76
TPSA345.10 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.64
LogP ≤ 517.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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

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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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)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]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 158555123) is 6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)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]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)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]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is CCc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1ccccc1F.Cc1ccccc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1ccccc1F)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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is HQERDCSTTBOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4.C24H18N2O4.C23H16F2N2O4.C23H17FN2O4/c1-2-14-13-32-23-16(14)9-10-19-21(23)20(17-7-5-11-27-24(17)29)22(25(30)31)28(19)12-15-6-3-4-8-18(15)26;1-14-5-2-3-6-16(14)13-26-18-9-8-15-10-12-30-22(15)20(18)19(21(26)24(28)29)17-7-4-11-25-23(17)27;24-14-4-5-16(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;24-16-6-2-1-4-14(16)12-26-17-8-7-13-9-11-30-21(13)19(17)18(20(26)23(28)29)15-5-3-10-25-22(15)27/h3-11,13H,2,12H2,1H3,(H,27,29)(H,30,31);2-12H,13H2,1H3,(H,25,27)(H,28,29);1-6,8,10H,7,9,11H2,(H,26,28)(H,29,30);1-8,10H,9,11-12H2,(H,25,27)(H,28,29).
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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 1655.64 g/mol, XLogP of 17.76, 17 rotatable bonds, 8 hydrogen bond donors, and 16 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;3-ethyl-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 158555123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).