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

C19H24ClN3O2 — CID 10292096

IUPAC5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1cc(Cl)nc(N2CCc3cc(OC)cc(C)c32)c1=O
InChIInChI=1S/C19H24ClN3O2/c1-5-14(6-2)23-11-16(20)21-18(19(23)24)22-8-7-13-10-15(25-4)9-12(3)17(13)22/h9-11,14H,5-8H2,1-4H3
InChIKeyPYEDGFAUOKYEJL-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.27
Rot. Bonds5

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

5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one (PubChem CID 10292096) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
PubChem CID10292096
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1cc(Cl)nc(N2CCc3cc(OC)cc(C)c32)c1=O
InChIInChI=1S/C19H24ClN3O2/c1-5-14(6-2)23-11-16(20)21-18(19(23)24)22-8-7-13-10-15(25-4)9-12(3)17(13)22/h9-11,14H,5-8H2,1-4H3
InChIKeyPYEDGFAUOKYEJL-UHFFFAOYSA-N
XLogP4.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.27
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-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
The IUPAC name of 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one (CID 10292096) is 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one is CCC(CC)n1cc(Cl)nc(N2CCc3cc(OC)cc(C)c32)c1=O.
What is the InChIKey of 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
The InChIKey is PYEDGFAUOKYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-5-14(6-2)23-11-16(20)21-18(19(23)24)22-8-7-13-10-15(25-4)9-12(3)17(13)22/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one?
5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one has a molecular weight of 361.87 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one is sourced from PubChem (CID 10292096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).