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

C20H14Br2N4O — CID 135566581

IUPAC(5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one
SMILESO=C1NCC(c2c[nH]c3cc(Br)ccc23)=N[C@H]1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,19,23-24H,9H2,(H,25,27)/t19-/m0/s1
InChIKeyDWXXRVSDSQITSJ-IBGZPJMESA-N
MW486.17 g/mol
LogP4.83
Rot. Bonds2

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

(5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 135566581) has the molecular formula C20H14Br2N4O and a molecular weight of 486.17 g/mol. Its IUPAC name is (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one
PubChem CID135566581
Molecular FormulaC20H14Br2N4O
Molecular Weight486.17 g/mol
Exact Mass483.95
IUPAC Name(5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one
SMILESO=C1NCC(c2c[nH]c3cc(Br)ccc23)=N[C@H]1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,19,23-24H,9H2,(H,25,27)/t19-/m0/s1
InChIKeyDWXXRVSDSQITSJ-IBGZPJMESA-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 (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one (CID 135566581) is (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one is O=C1NCC(c2c[nH]c3cc(Br)ccc23)=N[C@H]1c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is DWXXRVSDSQITSJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,19,23-24H,9H2,(H,25,27)/t19-/m0/s1.
What are the key properties of (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one?
(5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-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 (5S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 135566581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).