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

C18H14BrN3O — CID 177492894

IUPAC(3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NC[C@@H](c2ccccc2)N=C1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C18H14BrN3O/c19-12-6-7-13-14(9-20-15(13)8-12)17-18(23)21-10-16(22-17)11-4-2-1-3-5-11/h1-9,16,20H,10H2,(H,21,23)/t16-/m0/s1
InChIKeyUPUQDPRPNOWUTO-INIZCTEOSA-N
MW368.23 g/mol
LogP3.59
Rot. Bonds2

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

(3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 177492894) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one
PubChem CID177492894
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name(3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NC[C@@H](c2ccccc2)N=C1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C18H14BrN3O/c19-12-6-7-13-14(9-20-15(13)8-12)17-18(23)21-10-16(22-17)11-4-2-1-3-5-11/h1-9,16,20H,10H2,(H,21,23)/t16-/m0/s1
InChIKeyUPUQDPRPNOWUTO-INIZCTEOSA-N
XLogP3.59
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one (CID 177492894) is (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one is O=C1NC[C@@H](c2ccccc2)N=C1c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is UPUQDPRPNOWUTO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-12-6-7-13-14(9-20-15(13)8-12)17-18(23)21-10-16(22-17)11-4-2-1-3-5-11/h1-9,16,20H,10H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one?
(3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 368.23 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 177492894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).