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

C18H14ClF2N3O4 — CID 118940021

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate
SMILESCOCC(=O)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21
InChIInChI=1S/C18H14ClF2N3O4/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/h3-6H,7H2,1-2H3,(H2,22,23)
InChIKeyQSRGSFLYRNJBQB-UHFFFAOYSA-N
MW409.78 g/mol
LogP3.29
Rot. Bonds4

About methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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 118940021) has the molecular formula C18H14ClF2N3O4 and a molecular weight of 409.78 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate
PubChem CID118940021
Molecular FormulaC18H14ClF2N3O4
Molecular Weight409.78 g/mol
Exact Mass409.06
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate
SMILESCOCC(=O)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21
InChIInChI=1S/C18H14ClF2N3O4/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/h3-6H,7H2,1-2H3,(H2,22,23)
InChIKeyQSRGSFLYRNJBQB-UHFFFAOYSA-N
XLogP3.29
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate (CID 118940021) is 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 methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate is COCC(=O)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate?
The InChIKey is QSRGSFLYRNJBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O4/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/h3-6H,7H2,1-2H3,(H2,22,23).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)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 409.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methoxyacetyl)indol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 118940021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).