6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C127H84F9N9O24 — CID 160730676

About 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 160730676) has the molecular formula C127H84F9N9O24 and a molecular weight of 2291.09 g/mol. Its IUPAC name is 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 160730676
• Molecular Formula: C127H84F9N9O24
• Molecular Weight: 2291.09 g/mol
• Exact Mass: 2289.55
• IUPAC Name: 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• SMILES: NC1=NCc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc(CO)ccc2F)c2cc(F)c3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2ccc3c(c2)CCO3)c2cc(F)c3c(c12)OCC3.O=C1Cc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc2N1.O=Cc1ccc(F)c(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)c1
• InChI: InChI=1S/C26H17F2N3O4.C26H20FNO5.C25H15F2N3O5.C25H17F2NO5.C25H15F2NO5/c27-17-8-16-12(10-30-25(16)29)7-13(17)11-31-19-9-18(28)14-5-6-35-24(14)22(19)21(23(31)26(33)34)15-3-1-2-4-20(15)32;27-18-12-19-23(25-16(18)8-10-33-25)22(17-3-1-2-4-20(17)29)24(26(30)31)28(19)13-14-5-6-21-15(11-14)7-9-32-21;26-15-8-17-11(7-19(31)29-17)6-12(15)10-30-18-9-16(27)13-3-5-35-23(13)21(18)20(22(30)25(33)34)14-2-1-4-28-24(14)32;2*26-17-6-5-13(12-29)9-14(17)11-28-19-10-18(27)15-7-8-33-24(15)22(19)21(23(28)25(31)32)16-3-1-2-4-20(16)30/h1-3,5-9H,4,10-11H2,(H2,29,30)(H,33,34);1-3,5-6,11-12H,4,7-10,13H2,(H,30,31);1-6,8-9H,7,10H2,(H,28,32)(H,29,31)(H,33,34);1-3,5-10,29H,4,11-12H2,(H,31,32);1-3,5-10,12H,4,11H2,(H,31,32)
• InChIKey: RUHIKWHXNLNXSB-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 488.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.09
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 160730676) is 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is NC1=NCc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc(CO)ccc2F)c2cc(F)c3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2ccc3c(c2)CCO3)c2cc(F)c3c(c12)OCC3.O=C1Cc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc2N1.O=Cc1ccc(F)c(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)c1.

What is the InChIKey of 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is RUHIKWHXNLNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O4.C26H20FNO5.C25H15F2N3O5.C25H17F2NO5.C25H15F2NO5/c27-17-8-16-12(10-30-25(16)29)7-13(17)11-31-19-9-18(28)14-5-6-35-24(14)22(19)21(23(31)26(33)34)15-3-1-2-4-20(15)32;27-18-12-19-23(25-16(18)8-10-33-25)22(17-3-1-2-4-20(17)29)24(26(30)31)28(19)13-14-5-6-21-15(11-14)7-9-32-21;26-15-8-17-11(7-19(31)29-17)6-12(15)10-30-18-9-16(27)13-3-5-35-23(13)21(18)20(22(30)25(33)34)14-2-1-4-28-24(14)32;2*26-17-6-5-13(12-29)9-14(17)11-28-19-10-18(27)15-7-8-33-24(15)22(19)21(23(28)25(31)32)16-3-1-2-4-20(16)30/h1-3,5-9H,4,10-11H2,(H2,29,30)(H,33,34);1-3,5-6,11-12H,4,7-10,13H2,(H,30,31);1-6,8-9H,7,10H2,(H,28,32)(H,29,31)(H,33,34);1-3,5-10,29H,4,11-12H2,(H,31,32);1-3,5-10,12H,4,11H2,(H,31,32).

What are the key properties of 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 2291.09 g/mol, XLogP of 23.07, 22 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-amino-6-fluoro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-fluoro-5-formylphenyl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydroindol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 160730676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).