1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one

C20H17BrN4O — CID 46337577

IUPAC1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCc2c[nH]c3ccccc23)nccn1-c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN4O/c21-15-5-7-16(8-6-15)25-12-11-23-19(20(25)26)22-10-9-14-13-24-18-4-2-1-3-17(14)18/h1-8,11-13,24H,9-10H2,(H,22,23)
InChIKeyUIKBMBCCXKCNGF-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one

1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one (PubChem CID 46337577) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
PubChem CID46337577
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCc2c[nH]c3ccccc23)nccn1-c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN4O/c21-15-5-7-16(8-6-15)25-12-11-23-19(20(25)26)22-10-9-14-13-24-18-4-2-1-3-17(14)18/h1-8,11-13,24H,9-10H2,(H,22,23)
InChIKeyUIKBMBCCXKCNGF-UHFFFAOYSA-N
XLogP4.13
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
CID 20941602
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 1259485
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
CID 146598277
7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione
CID 177374181

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one (CID 46337577) is 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one is O=c1c(NCCc2c[nH]c3ccccc23)nccn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
The InChIKey is UIKBMBCCXKCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c21-15-5-7-16(8-6-15)25-12-11-23-19(20(25)26)22-10-9-14-13-24-18-4-2-1-3-17(14)18/h1-8,11-13,24H,9-10H2,(H,22,23).
What are the key properties of 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one has a molecular weight of 409.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 46337577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).