5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one

C17H18Cl3N3O — CID 10110723

IUPAC5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C17H18Cl3N3O/c1-3-12(4-2)23-9-14(20)21-16(17(23)24)22-6-5-10-7-11(18)8-13(19)15(10)22/h7-9,12H,3-6H2,1-2H3
InChIKeySQQXCBZIYIZKLD-UHFFFAOYSA-N
MW386.71 g/mol
LogP5.26
Rot. Bonds4

About 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one

5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one (PubChem CID 10110723) has the molecular formula C17H18Cl3N3O and a molecular weight of 386.71 g/mol. Its IUPAC name is 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
PubChem CID10110723
Molecular FormulaC17H18Cl3N3O
Molecular Weight386.71 g/mol
Exact Mass385.05
IUPAC Name5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C17H18Cl3N3O/c1-3-12(4-2)23-9-14(20)21-16(17(23)24)22-6-5-10-7-11(18)8-13(19)15(10)22/h7-9,12H,3-6H2,1-2H3
InChIKeySQQXCBZIYIZKLD-UHFFFAOYSA-N
XLogP5.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
The IUPAC name of 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one (CID 10110723) is 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one is CCC(CC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O.
What is the InChIKey of 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
The InChIKey is SQQXCBZIYIZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N3O/c1-3-12(4-2)23-9-14(20)21-16(17(23)24)22-6-5-10-7-11(18)8-13(19)15(10)22/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one has a molecular weight of 386.71 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one is sourced from PubChem (CID 10110723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).