1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone

C22H19FN4O3 — CID 86728982

IUPAC1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3cc(F)ccc23)c2cnc(OC)cn2)c1
InChIInChI=1S/C22H19FN4O3/c1-29-15-5-3-4-14(9-15)27-21(19-11-26-20(30-2)12-25-19)22(28)17-10-24-18-8-13(23)6-7-16(17)18/h3-12,21,24,27H,1-2H3
InChIKeyIPELRXOUOYAHQW-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.15
Rot. Bonds7

About 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone

1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone (PubChem CID 86728982) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone
PubChem CID86728982
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3cc(F)ccc23)c2cnc(OC)cn2)c1
InChIInChI=1S/C22H19FN4O3/c1-29-15-5-3-4-14(9-15)27-21(19-11-26-20(30-2)12-25-19)22(28)17-10-24-18-8-13(23)6-7-16(17)18/h3-12,21,24,27H,1-2H3
InChIKeyIPELRXOUOYAHQW-UHFFFAOYSA-N
XLogP4.15
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methoxy-3-pyridinyl)ethanone
CID 86728843
1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone
CID 86729099
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-7-ylethanone
CID 86728634
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681
2-[3-[[2-(6-fluoro-1H-indol-3-yl)-1-(4-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-5-methoxyphenoxy]ethyloxidanium
CID 146953853
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
1-(5-fluoro-6-methoxy-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 121254986
2-(3,5-dimethoxyanilino)-2-(4-fluorophenyl)-1-[5-(2-hydroxyethyl)-1H-indol-3-yl]ethanone
CID 86729132

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone (CID 86728982) is 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone is COc1cccc(NC(C(=O)c2c[nH]c3cc(F)ccc23)c2cnc(OC)cn2)c1.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone?
The InChIKey is IPELRXOUOYAHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-29-15-5-3-4-14(9-15)27-21(19-11-26-20(30-2)12-25-19)22(28)17-10-24-18-8-13(23)6-7-16(17)18/h3-12,21,24,27H,1-2H3.
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone?
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone has a molecular weight of 406.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone is sourced from PubChem (CID 86728982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).