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

C20H14Br2N4O — CID 3037568

IUPAC(2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1N[C@@H](c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,26,27)/t18-/m1/s1
InChIKeyLJVUNJVGWMVCQH-GOSISDBHSA-N
MW486.17 g/mol
LogP4.83
Rot. Bonds2

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

(2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 3037568) has the molecular formula C20H14Br2N4O and a molecular weight of 486.17 g/mol. Its IUPAC name is (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID3037568
Molecular FormulaC20H14Br2N4O
Molecular Weight486.17 g/mol
Exact Mass483.95
IUPAC Name(2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1N[C@@H](c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,26,27)/t18-/m1/s1
InChIKeyLJVUNJVGWMVCQH-GOSISDBHSA-N
XLogP4.83
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.17
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one (CID 3037568) is (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one is O=C1N[C@@H](c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is LJVUNJVGWMVCQH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,26,27)/t18-/m1/s1.
What are the key properties of (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
(2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 486.17 g/mol, XLogP of 4.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 3037568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).