1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one

C18H21N3O — CID 126833930

IUPAC1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one
SMILESCC(C(=O)N1CC(C(C)C)c2ccccc21)c1cnccn1
InChIInChI=1S/C18H21N3O/c1-12(2)15-11-21(17-7-5-4-6-14(15)17)18(22)13(3)16-10-19-8-9-20-16/h4-10,12-13,15H,11H2,1-3H3
InChIKeyGYXSHPKXFQCAQB-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.37
Rot. Bonds3

About 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one

1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one (PubChem CID 126833930) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one
PubChem CID126833930
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one
SMILESCC(C(=O)N1CC(C(C)C)c2ccccc21)c1cnccn1
InChIInChI=1S/C18H21N3O/c1-12(2)15-11-21(17-7-5-4-6-14(15)17)18(22)13(3)16-10-19-8-9-20-16/h4-10,12-13,15H,11H2,1-3H3
InChIKeyGYXSHPKXFQCAQB-UHFFFAOYSA-N
XLogP3.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one (CID 126833930) is 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one is CC(C(=O)N1CC(C(C)C)c2ccccc21)c1cnccn1.
What is the InChIKey of 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one?
The InChIKey is GYXSHPKXFQCAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12(2)15-11-21(17-7-5-4-6-14(15)17)18(22)13(3)16-10-19-8-9-20-16/h4-10,12-13,15H,11H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one?
1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one has a molecular weight of 295.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-2,3-dihydroindol-1-yl)-2-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 126833930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).