6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

C100H71ClF2N18O16 — CID 157417214

About 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 157417214) has the molecular formula C100H71ClF2N18O16 and a molecular weight of 1854.23 g/mol. Its IUPAC name is 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
• PubChem CID: 157417214
• Molecular Formula: C100H71ClF2N18O16
• Molecular Weight: 1854.23 g/mol
• Exact Mass: 1852.50
• IUPAC Name: 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
• SMILES: Cn1cnc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(ccc43)CCO5)c(F)cc21.Nc1[nH]nc2nc(Cl)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(ccc43)CCO5)cc12.Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc2n1.Nc1nc2ccccc2cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21
• InChI: InChI=1S/C26H17FN4O4.C26H18N4O4.C25H19FN4O4.C23H17ClN6O4/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-29-25(16)32)23(26(33)34)31(19)12-13-10-20(28)30-18-6-2-1-4-14(13)18;27-24-16(12-15-4-1-2-6-18(15)29-24)13-30-19-8-7-14-9-11-34-23(14)21(19)20(22(30)26(32)33)17-5-3-10-28-25(17)31;1-29-12-28-17-9-14(16(26)10-19(17)29)11-30-18-5-4-13-6-8-34-23(13)21(18)20(22(30)25(32)33)15-3-2-7-27-24(15)31;24-19-11(8-13-20(25)28-29-21(13)27-19)9-30-14-4-3-10-5-7-34-18(10)16(14)15(17(30)23(32)33)12-2-1-6-26-22(12)31/h1-11H,12H2,(H2,28,30)(H,29,32)(H,33,34);1-12H,13H2,(H2,27,29)(H,28,31)(H,32,33);2-5,7,9-10,12H,6,8,11H2,1H3,(H,27,31)(H,32,33);1-4,6,8H,5,7,9H2,(H,26,31)(H,32,33)(H3,25,27,28,29)
• InChIKey: BOZMADRFRLUMGP-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 508.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1854.23
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 157417214) is 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)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-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is Cn1cnc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(ccc43)CCO5)c(F)cc21.Nc1[nH]nc2nc(Cl)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(ccc43)CCO5)cc12.Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc2n1.Nc1nc2ccccc2cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21.

What is the InChIKey of 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

The InChIKey is BOZMADRFRLUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O4.C26H18N4O4.C25H19FN4O4.C23H17ClN6O4/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-29-25(16)32)23(26(33)34)31(19)12-13-10-20(28)30-18-6-2-1-4-14(13)18;27-24-16(12-15-4-1-2-6-18(15)29-24)13-30-19-8-7-14-9-11-34-23(14)21(19)20(22(30)26(32)33)17-5-3-10-28-25(17)31;1-29-12-28-17-9-14(16(26)10-19(17)29)11-30-18-5-4-13-6-8-34-23(13)21(18)20(22(30)25(32)33)15-3-2-7-27-24(15)31;24-19-11(8-13-20(25)28-29-21(13)27-19)9-30-14-4-3-10-5-7-34-18(10)16(14)15(17(30)23(32)33)12-2-1-6-26-22(12)31/h1-11H,12H2,(H2,28,30)(H,29,32)(H,33,34);1-12H,13H2,(H2,27,29)(H,28,31)(H,32,33);2-5,7,9-10,12H,6,8,11H2,1H3,(H,27,31)(H,32,33);1-4,6,8H,5,7,9H2,(H,26,31)(H,32,33)(H3,25,27,28,29).

What are the key properties of 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 1854.23 g/mol, XLogP of 16.27, 16 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-amino-6-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(2-aminoquinolin-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-1-methylbenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 157417214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).