1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone

C21H18N4O2 — CID 86728916

IUPAC1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone
SMILESCOc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1
InChIInChI=1S/C21H18N4O2/c1-27-19-13-22-12-18(24-19)25-20(14-7-3-2-4-8-14)21(26)16-11-23-17-10-6-5-9-15(16)17/h2-13,20,23H,1H3,(H,24,25)
InChIKeyLFEBZBRJSBXUTC-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.00
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone

1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone (PubChem CID 86728916) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone
PubChem CID86728916
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone
SMILESCOc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1
InChIInChI=1S/C21H18N4O2/c1-27-19-13-22-12-18(24-19)25-20(14-7-3-2-4-8-14)21(26)16-11-23-17-10-6-5-9-15(16)17/h2-13,20,23H,1H3,(H,24,25)
InChIKeyLFEBZBRJSBXUTC-UHFFFAOYSA-N
XLogP4.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone with MolForge

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Related Compounds

1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone
CID 86728658
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
1-(1H-indol-3-yl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-2-phenylethanone
CID 86728918
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002
1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
CID 139422871
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone (CID 86728916) is 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone is COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone?
The InChIKey is LFEBZBRJSBXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-19-13-22-12-18(24-19)25-20(14-7-3-2-4-8-14)21(26)16-11-23-17-10-6-5-9-15(16)17/h2-13,20,23H,1H3,(H,24,25).
What are the key properties of 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone?
1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone has a molecular weight of 358.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone is sourced from PubChem (CID 86728916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).