2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one

C17H21N3O — CID 62848113

IUPAC2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one
SMILESCc1cnc(Cn2c(C)cc3c2CC(C)(C)CC3=O)cn1
InChIInChI=1S/C17H21N3O/c1-11-8-19-13(9-18-11)10-20-12(2)5-14-15(20)6-17(3,4)7-16(14)21/h5,8-9H,6-7,10H2,1-4H3
InChIKeyLLLXYMQHUTWNEQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.10
Rot. Bonds2

About 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one

2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one (PubChem CID 62848113) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one
PubChem CID62848113
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one
SMILESCc1cnc(Cn2c(C)cc3c2CC(C)(C)CC3=O)cn1
InChIInChI=1S/C17H21N3O/c1-11-8-19-13(9-18-11)10-20-12(2)5-14-15(20)6-17(3,4)7-16(14)21/h5,8-9H,6-7,10H2,1-4H3
InChIKeyLLLXYMQHUTWNEQ-UHFFFAOYSA-N
XLogP3.10
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one?
The IUPAC name of 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one (CID 62848113) is 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one is Cc1cnc(Cn2c(C)cc3c2CC(C)(C)CC3=O)cn1.
What is the InChIKey of 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one?
The InChIKey is LLLXYMQHUTWNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-8-19-13(9-18-11)10-20-12(2)5-14-15(20)6-17(3,4)7-16(14)21/h5,8-9H,6-7,10H2,1-4H3.
What are the key properties of 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one?
2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one has a molecular weight of 283.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 62848113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).