1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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

C92H63Cl6F11N18O9 — CID 158300462

IUPAC1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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
SMILESCC(=O)c1nc(-c2cc(F)c3[nH]ccc3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.CC(=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
InChIInChI=1S/C17H12ClF2N3O3.C15H10ClF2N3O2.3C15H10ClF2N3O.C15H11ClFN3O/c1-7(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)13-10(16)12(19)11(18)15(21-13)8-4-7-2-3-20-14(7)9(17)5-8;2*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;1-7(21)14-11(16)13(18)12(17)15(20-14)9-3-2-8-4-5-19-10(8)6-9/h3-6H,1-2H3,(H2,21,22);2-5,20H,1H3,(H2,19,21);3*2-5,20H,1H3,(H2,19,21);2-6,19H,1H3,(H2,18,20)
InChIKeyGMLAWRWKRQHDTA-UHFFFAOYSA-N
MW1986.33 g/mol
LogP22.84
Rot. Bonds12

About 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 158300462) has the molecular formula C92H63Cl6F11N18O9 and a molecular weight of 1986.33 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 Name1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 CID158300462
Molecular FormulaC92H63Cl6F11N18O9
Molecular Weight1986.33 g/mol
Exact Mass1982.30
IUPAC Name1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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
SMILESCC(=O)c1nc(-c2cc(F)c3[nH]ccc3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.CC(=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
InChIInChI=1S/C17H12ClF2N3O3.C15H10ClF2N3O2.3C15H10ClF2N3O.C15H11ClFN3O/c1-7(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)13-10(16)12(19)11(18)15(21-13)8-4-7-2-3-20-14(7)9(17)5-8;2*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;1-7(21)14-11(16)13(18)12(17)15(20-14)9-3-2-8-4-5-19-10(8)6-9/h3-6H,1-2H3,(H2,21,22);2-5,20H,1H3,(H2,19,21);3*2-5,20H,1H3,(H2,19,21);2-6,19H,1H3,(H2,18,20)
InChIKeyGMLAWRWKRQHDTA-UHFFFAOYSA-N
XLogP22.84
TPSA455.29 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001986.33
LogP ≤ 522.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 158300462) is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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(-c2cc(F)c3[nH]ccc3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.CC(=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-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 GMLAWRWKRQHDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O3.C15H10ClF2N3O2.3C15H10ClF2N3O.C15H11ClFN3O/c1-7(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)13-10(16)12(19)11(18)15(21-13)8-4-7-2-3-20-14(7)9(17)5-8;2*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;1-7(21)14-11(16)13(18)12(17)15(20-14)9-3-2-8-4-5-19-10(8)6-9/h3-6H,1-2H3,(H2,21,22);2-5,20H,1H3,(H2,19,21);3*2-5,20H,1H3,(H2,19,21);2-6,19H,1H3,(H2,18,20).
What are the key properties of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 1986.33 g/mol, XLogP of 22.84, 12 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;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 158300462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).