3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one

C17H19BrClN3O2 — CID 10201774

IUPAC3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one
SMILESCCC(C)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
InChIInChI=1S/C17H19BrClN3O2/c1-4-10(2)22-9-14(19)20-16(17(22)23)21-6-5-11-7-12(24-3)8-13(18)15(11)21/h7-10H,4-6H2,1-3H3
InChIKeyJLXXRVMYDKJXIE-UHFFFAOYSA-N
MW412.72 g/mol
LogP4.33
Rot. Bonds4

About 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one

3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one (PubChem CID 10201774) has the molecular formula C17H19BrClN3O2 and a molecular weight of 412.72 g/mol. Its IUPAC name is 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one.

Molecular Properties

Compound Name3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one
PubChem CID10201774
Molecular FormulaC17H19BrClN3O2
Molecular Weight412.72 g/mol
Exact Mass411.03
IUPAC Name3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one
SMILESCCC(C)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
InChIInChI=1S/C17H19BrClN3O2/c1-4-10(2)22-9-14(19)20-16(17(22)23)21-6-5-11-7-12(24-3)8-13(18)15(11)21/h7-10H,4-6H2,1-3H3
InChIKeyJLXXRVMYDKJXIE-UHFFFAOYSA-N
XLogP4.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.72
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one
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CID 10203004
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CID 10135525
CID 89383890
CID 89383890
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CID 69396012
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6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-5-iodo-2-methyl-N-(1-propoxypropyl)pyrimidin-4-amine
CID 18452773
1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495
4-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 12050981
1-butan-2-yl-6-methoxy-2,3-dihydroindole
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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one?
The IUPAC name of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one (CID 10201774) is 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one.
What is the SMILES notation for 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one?
The canonical SMILES for 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one is CCC(C)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O.
What is the InChIKey of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one?
The InChIKey is JLXXRVMYDKJXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN3O2/c1-4-10(2)22-9-14(19)20-16(17(22)23)21-6-5-11-7-12(24-3)8-13(18)15(11)21/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one?
3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one has a molecular weight of 412.72 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one is sourced from PubChem (CID 10201774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).