6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C96H63F3N16O21 — CID 158899448

About 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 158899448) has the molecular formula C96H63F3N16O21 and a molecular weight of 1833.64 g/mol. Its IUPAC name is 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 158899448
• Molecular Formula: C96H63F3N16O21
• Molecular Weight: 1833.64 g/mol
• Exact Mass: 1832.43
• IUPAC Name: 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• SMILES: COc1ccc([N+](=O)[O-])cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21.Nc1nc2ccc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2[nH]1.Nc1noc2ccc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc12.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C24H16FN5O4.2C24H15FN4O5.C24H17N3O7/c25-14-9-17-19(21-12(14)5-7-34-21)18(13-2-1-6-27-22(13)31)20(23(32)33)30(17)10-11-3-4-15-16(8-11)29-24(26)28-15;25-14-9-17-19(21-12(14)5-7-34-21)18(13-2-1-6-26-22(13)30)20(23(31)32)29(17)10-11-3-4-15-16(8-11)28-24(33)27-15;25-15-9-16-19(21-12(15)5-7-33-21)18(13-2-1-6-27-23(13)30)20(24(31)32)29(16)10-11-3-4-17-14(8-11)22(26)28-34-17;1-33-18-7-5-15(27(31)32)11-14(18)12-26-17-6-4-13-8-10-34-22(13)20(17)19(21(26)24(29)30)16-3-2-9-25-23(16)28/h1-9H,10H2,(H,27,31)(H,32,33)(H3,26,28,29);1-9H,10H2,(H,26,30)(H,31,32)(H2,27,28,33);1-9H,10H2,(H2,26,28)(H,27,30)(H,31,32);2-11H,12H2,1H3,(H,25,28)(H,29,30)
• InChIKey: JFGBZGHQQCKJPD-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 560.69 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1833.64
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 158899448) is 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is COc1ccc([N+](=O)[O-])cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21.Nc1nc2ccc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2[nH]1.Nc1noc2ccc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc12.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is JFGBZGHQQCKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O4.2C24H15FN4O5.C24H17N3O7/c25-14-9-17-19(21-12(14)5-7-34-21)18(13-2-1-6-27-22(13)31)20(23(32)33)30(17)10-11-3-4-15-16(8-11)29-24(26)28-15;25-14-9-17-19(21-12(14)5-7-34-21)18(13-2-1-6-26-22(13)30)20(23(31)32)29(17)10-11-3-4-15-16(8-11)28-24(33)27-15;25-15-9-16-19(21-12(15)5-7-33-21)18(13-2-1-6-27-23(13)30)20(24(31)32)29(16)10-11-3-4-17-14(8-11)22(26)28-34-17;1-33-18-7-5-15(27(31)32)11-14(18)12-26-17-6-4-13-8-10-34-22(13)20(17)19(21(26)24(29)30)16-3-2-9-25-23(16)28/h1-9H,10H2,(H,27,31)(H,32,33)(H3,26,28,29);1-9H,10H2,(H,26,30)(H,31,32)(H2,27,28,33);1-9H,10H2,(H2,26,28)(H,27,30)(H,31,32);2-11H,12H2,1H3,(H,25,28)(H,29,30).

What are the key properties of 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 1833.64 g/mol, XLogP of 16.64, 18 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-amino-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-methoxy-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 158899448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).