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

C65H48Cl4F8N12O8 — CID 159493012

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

1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 159493012) has the molecular formula C65H48Cl4F8N12O8 and a molecular weight of 1418.97 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-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;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
• PubChem CID: 159493012
• Molecular Formula: C65H48Cl4F8N12O8
• Molecular Weight: 1418.97 g/mol
• Exact Mass: 1416.23
• IUPAC Name: 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
• SMILES: CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.CCCCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl
• InChI: InChI=1S/C18H16ClF2N3O2.C17H12ClF2N3O3.C15H10ClF2N3O2.C15H10ClF2N3O/c1-2-3-8-26-18(25)17-11(19)14(22)13(21)16(24-17)10-5-4-9-6-7-23-15(9)12(10)20;1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;1-23-15(22)14-8(16)11(19)10(18)13(21-14)7-3-2-6-4-5-20-12(6)9(7)17;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/h4-7,23H,2-3,8H2,1H3,(H2,22,24);3-6H,1-2H3,(H2,21,22);2-5,20H,1H3,(H2,19,21);2-5,20H,1H3,(H2,19,21)
• InChIKey: LYKWSTGQUCONSQ-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 320.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1418.97
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-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;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (CID 159493012) is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-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;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-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;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.CCCCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl.

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

The InChIKey is LYKWSTGQUCONSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2.C17H12ClF2N3O3.C15H10ClF2N3O2.C15H10ClF2N3O/c1-2-3-8-26-18(25)17-11(19)14(22)13(21)16(24-17)10-5-4-9-6-7-23-15(9)12(10)20;1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;1-23-15(22)14-8(16)11(19)10(18)13(21-14)7-3-2-6-4-5-20-12(6)9(7)17;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/h4-7,23H,2-3,8H2,1H3,(H2,22,24);3-6H,1-2H3,(H2,21,22);2-5,20H,1H3,(H2,19,21);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;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?

1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate has a molecular weight of 1418.97 g/mol, XLogP of 15.84, 11 rotatable bonds, 7 hydrogen bond donors, and 17 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;butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 159493012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).