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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate

C83H62Cl5F10N15O12 — CID 157323716

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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate (PubChem CID 157323716) has the molecular formula C83H62Cl5F10N15O12 and a molecular weight of 1828.75 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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate
• PubChem CID: 157323716
• Molecular Formula: C83H62Cl5F10N15O12
• Molecular Weight: 1828.75 g/mol
• Exact Mass: 1825.30
• 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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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.COCC(=O)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21
• InChI: InChI=1S/C18H14ClF2N3O4.C18H16ClF2N3O2.C17H12ClF2N3O3.C15H10ClF2N3O2.C15H10ClF2N3O/c1-27-7-10(25)24-6-5-8-3-4-9(12(20)17(8)24)15-13(21)14(22)11(19)16(23-15)18(26)28-2;1-2-3-8-26-18(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/h3-6H,7H2,1-2H3,(H2,22,23);4-7,23H,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: BELVYBRMERYIJO-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 417.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1828.75
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate (CID 157323716) 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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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.COCC(=O)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21.

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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate?

The InChIKey is BELVYBRMERYIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O4.C18H16ClF2N3O2.C17H12ClF2N3O3.C15H10ClF2N3O2.C15H10ClF2N3O/c1-27-7-10(25)24-6-5-8-3-4-9(12(20)17(8)24)15-13(21)14(22)11(19)16(23-15)18(26)28-2;1-2-3-8-26-18(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/h3-6H,7H2,1-2H3,(H2,22,23);4-7,23H,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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate has a molecular weight of 1828.75 g/mol, XLogP of 19.13, 15 rotatable bonds, 8 hydrogen bond donors, and 24 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;methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 157323716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).