5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one

C18H20Cl3N3O2 — CID 10136692

IUPAC5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one
SMILESCCC(CCOC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C18H20Cl3N3O2/c1-3-13(5-7-26-2)24-10-15(21)22-17(18(24)25)23-6-4-11-8-12(19)9-14(20)16(11)23/h8-10,13H,3-7H2,1-2H3
InChIKeyGXFYOFIPQNWXCY-UHFFFAOYSA-N
MW416.74 g/mol
LogP4.89
Rot. Bonds6

About 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one

5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one (PubChem CID 10136692) has the molecular formula C18H20Cl3N3O2 and a molecular weight of 416.74 g/mol. Its IUPAC name is 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one
PubChem CID10136692
Molecular FormulaC18H20Cl3N3O2
Molecular Weight416.74 g/mol
Exact Mass415.06
IUPAC Name5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one
SMILESCCC(CCOC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C18H20Cl3N3O2/c1-3-13(5-7-26-2)24-10-15(21)22-17(18(24)25)23-6-4-11-8-12(19)9-14(20)16(11)23/h8-10,13H,3-7H2,1-2H3
InChIKeyGXFYOFIPQNWXCY-UHFFFAOYSA-N
XLogP4.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.74
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(1-methoxypentan-3-yl)pyrazin-2-one?
The IUPAC name of 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one (CID 10136692) is 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one?
The canonical SMILES for 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one is CCC(CCOC)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-(1-methoxypentan-3-yl)pyrazin-2-one?
The InChIKey is GXFYOFIPQNWXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3N3O2/c1-3-13(5-7-26-2)24-10-15(21)22-17(18(24)25)23-6-4-11-8-12(19)9-14(20)16(11)23/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one?
5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one has a molecular weight of 416.74 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 10136692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).