5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one

C17H18Br2ClN3O2 — CID 10163521

IUPAC5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one
SMILESCC[C@H](COC)n1cc(Br)nc(N2CCc3cc(Br)cc(Cl)c32)c1=O
InChIInChI=1S/C17H18Br2ClN3O2/c1-3-12(9-25-2)23-8-14(19)21-16(17(23)24)22-5-4-10-6-11(18)7-13(20)15(10)22/h6-8,12H,3-5,9H2,1-2H3/t12-/m1/s1
InChIKeySHDXPMWMUKITES-GFCCVEGCSA-N
MW491.61 g/mol
LogP4.71
Rot. Bonds5

About 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one

5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one (PubChem CID 10163521) has the molecular formula C17H18Br2ClN3O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one
PubChem CID10163521
Molecular FormulaC17H18Br2ClN3O2
Molecular Weight491.61 g/mol
Exact Mass488.95
IUPAC Name5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one
SMILESCC[C@H](COC)n1cc(Br)nc(N2CCc3cc(Br)cc(Cl)c32)c1=O
InChIInChI=1S/C17H18Br2ClN3O2/c1-3-12(9-25-2)23-8-14(19)21-16(17(23)24)22-5-4-10-6-11(18)7-13(20)15(10)22/h6-8,12H,3-5,9H2,1-2H3/t12-/m1/s1
InChIKeySHDXPMWMUKITES-GFCCVEGCSA-N
XLogP4.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
The IUPAC name of 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one (CID 10163521) is 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one is CC[C@H](COC)n1cc(Br)nc(N2CCc3cc(Br)cc(Cl)c32)c1=O.
What is the InChIKey of 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
The InChIKey is SHDXPMWMUKITES-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18Br2ClN3O2/c1-3-12(9-25-2)23-8-14(19)21-16(17(23)24)22-5-4-10-6-11(18)7-13(20)15(10)22/h6-8,12H,3-5,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one has a molecular weight of 491.61 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one is sourced from PubChem (CID 10163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).