(3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C16H10Br5N3O2 — CID 86765085

IUPAC(3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCO[C@H]1NC(=O)c2c(Br)c(Br)c(Br)n2[C@H]1c1c(Br)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H10Br5N3O2/c1-26-16-11(8-6-4-5(17)2-3-7(6)22-13(8)20)24-12(15(25)23-16)9(18)10(19)14(24)21/h2-4,11,16,22H,1H3,(H,23,25)/t11-,16+/m0/s1
InChIKeyOZUXGRGTSROPBA-MEDUHNTESA-N
MW675.79 g/mol
LogP6.09
Rot. Bonds2

About (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

(3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 86765085) has the molecular formula C16H10Br5N3O2 and a molecular weight of 675.79 g/mol. Its IUPAC name is (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID86765085
Molecular FormulaC16H10Br5N3O2
Molecular Weight675.79 g/mol
Exact Mass670.67
IUPAC Name(3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCO[C@H]1NC(=O)c2c(Br)c(Br)c(Br)n2[C@H]1c1c(Br)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H10Br5N3O2/c1-26-16-11(8-6-4-5(17)2-3-7(6)22-13(8)20)24-12(15(25)23-16)9(18)10(19)14(24)21/h2-4,11,16,22H,1H3,(H,23,25)/t11-,16+/m0/s1
InChIKeyOZUXGRGTSROPBA-MEDUHNTESA-N
XLogP6.09
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 86765085) is (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is CO[C@H]1NC(=O)c2c(Br)c(Br)c(Br)n2[C@H]1c1c(Br)[nH]c2ccc(Br)cc12.
What is the InChIKey of (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OZUXGRGTSROPBA-MEDUHNTESA-N. The full InChI is InChI=1S/C16H10Br5N3O2/c1-26-16-11(8-6-4-5(17)2-3-7(6)22-13(8)20)24-12(15(25)23-16)9(18)10(19)14(24)21/h2-4,11,16,22H,1H3,(H,23,25)/t11-,16+/m0/s1.
What are the key properties of (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
(3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 675.79 g/mol, XLogP of 6.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6,7,8-tribromo-4-(2,5-dibromo-1H-indol-3-yl)-3-methoxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 86765085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).