1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate

C75H58Cl4F8N12O9 — CID 158304418

About 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate

1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate (PubChem CID 158304418) has the molecular formula C75H58Cl4F8N12O9 and a molecular weight of 1565.16 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
• PubChem CID: 158304418
• Molecular Formula: C75H58Cl4F8N12O9
• Molecular Weight: 1565.16 g/mol
• Exact Mass: 1562.31
• IUPAC Name: 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
• SMILES: CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(=O)C(C)(C)C)c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(=O)C(C)C)c3c2F)c(F)c(N)c1Cl.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)OCc2ccccc2)c1Cl
• InChI: InChI=1S/C21H14ClF2N3O2.C20H18ClF2N3O3.C19H16ClF2N3O3.C15H10ClF2N3O/c22-14-17(25)16(24)19(13-7-6-12-8-9-26-18(12)15(13)23)27-20(14)21(28)29-10-11-4-2-1-3-5-11;1-20(2,3)19(28)26-8-7-9-5-6-10(12(22)17(9)26)15-13(23)14(24)11(21)16(25-15)18(27)29-4;1-8(2)18(26)25-7-6-9-4-5-10(12(21)17(9)25)15-13(22)14(23)11(20)16(24-15)19(27)28-3;1-6(22)13-9(16)12(19)11(18)15(21-13)8-3-2-7-4-5-20-14(7)10(8)17/h1-9,26H,10H2,(H2,25,27);5-8H,1-4H3,(H2,24,25);4-8H,1-3H3,(H2,23,24);2-5,20H,1H3,(H2,19,21)
• InChIKey: GMXBHWHUBTWNQO-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 327.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1565.16
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?

The IUPAC name of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate (CID 158304418) is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate.

What is the SMILES notation for 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?

The canonical SMILES for 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate is CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(=O)C(C)(C)C)c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(=O)C(C)C)c3c2F)c(F)c(N)c1Cl.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)OCc2ccccc2)c1Cl.

What is the InChIKey of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?

The InChIKey is GMXBHWHUBTWNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O2.C20H18ClF2N3O3.C19H16ClF2N3O3.C15H10ClF2N3O/c22-14-17(25)16(24)19(13-7-6-12-8-9-26-18(12)15(13)23)27-20(14)21(28)29-10-11-4-2-1-3-5-11;1-20(2,3)19(28)26-8-7-9-5-6-10(12(22)17(9)26)15-13(23)14(24)11(21)16(25-15)18(27)29-4;1-8(2)18(26)25-7-6-9-4-5-10(12(21)17(9)25)15-13(22)14(23)11(20)16(24-15)19(27)28-3;1-6(22)13-9(16)12(19)11(18)15(21-13)8-3-2-7-4-5-20-14(7)10(8)17/h1-9,26H,10H2,(H2,25,27);5-8H,1-4H3,(H2,24,25);4-8H,1-3H3,(H2,23,24);2-5,20H,1H3,(H2,19,21).

What are the key properties of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?

1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate has a molecular weight of 1565.16 g/mol, XLogP of 18.04, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 158304418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).