(2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one

C20H15BrN4O — CID 11452527

IUPAC(2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H15BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-19(20(26)25-18)15-9-22-16-4-2-1-3-12(15)16/h1-9,18,22-23H,10H2,(H,25,26)/t18-/m0/s1
InChIKeyPEYZIVLALWLEEG-SFHVURJKSA-N
MW407.27 g/mol
LogP4.07
Rot. Bonds2

About (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one

(2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 11452527) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID11452527
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name(2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H15BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-19(20(26)25-18)15-9-22-16-4-2-1-3-12(15)16/h1-9,18,22-23H,10H2,(H,25,26)/t18-/m0/s1
InChIKeyPEYZIVLALWLEEG-SFHVURJKSA-N
XLogP4.07
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one 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

3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one
CID 85275839
2-[4-[1-(2-amino-1H-imidazol-5-yl)ethyl]-7-hydroxy-1H-indol-3-yl]-5-(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
CID 162955249
(3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one
CID 177492894
(3S,6R)-3,6-bis(6-bromo-1H-indol-3-yl)piperazin-2-one
CID 10814842
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one
CID 160783495
3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 22139468
(3S)-3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 99646312
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 165437352
(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
CID 22833237
(1S)-7-bromo-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 125434619

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one (CID 11452527) is (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one is O=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is PEYZIVLALWLEEG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H15BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-19(20(26)25-18)15-9-22-16-4-2-1-3-12(15)16/h1-9,18,22-23H,10H2,(H,25,26)/t18-/m0/s1.
What are the key properties of (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
(2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 407.27 g/mol, XLogP of 4.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 11452527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).