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

C18H21Cl2N3O — CID 10133474

IUPAC3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1cc(C)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C18H21Cl2N3O/c1-4-14(5-2)23-10-11(3)21-17(18(23)24)22-7-6-12-8-13(19)9-15(20)16(12)22/h8-10,14H,4-7H2,1-3H3
InChIKeyTUFGBSLLDDWAIE-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.91
Rot. Bonds4

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

3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one (PubChem CID 10133474) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one
PubChem CID10133474
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1cc(C)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C18H21Cl2N3O/c1-4-14(5-2)23-10-11(3)21-17(18(23)24)22-7-6-12-8-13(19)9-15(20)16(12)22/h8-10,14H,4-7H2,1-3H3
InChIKeyTUFGBSLLDDWAIE-UHFFFAOYSA-N
XLogP4.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one?
The IUPAC name of 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one (CID 10133474) is 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one.
What is the SMILES notation for 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one?
The canonical SMILES for 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one is CCC(CC)n1cc(C)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O.
What is the InChIKey of 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one?
The InChIKey is TUFGBSLLDDWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-4-14(5-2)23-10-11(3)21-17(18(23)24)22-7-6-12-8-13(19)9-15(20)16(12)22/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one?
3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one has a molecular weight of 366.29 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dichloro-2,3-dihydroindol-1-yl)-5-methyl-1-pentan-3-ylpyrazin-2-one is sourced from PubChem (CID 10133474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).