3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one

C21H22N4O — CID 141468890

IUPAC3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one
SMILESCc1ccc(C2=CCC3C(=C2)N(c2cnc(C)cn2)C(=O)C3(C)C)cn1
InChIInChI=1S/C21H22N4O/c1-13-5-6-16(11-22-13)15-7-8-17-18(9-15)25(20(26)21(17,3)4)19-12-23-14(2)10-24-19/h5-7,9-12,17H,8H2,1-4H3
InChIKeyDOPJAYYCIWMCLA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.85
Rot. Bonds2

About 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one

3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one (PubChem CID 141468890) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one
PubChem CID141468890
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one
SMILESCc1ccc(C2=CCC3C(=C2)N(c2cnc(C)cn2)C(=O)C3(C)C)cn1
InChIInChI=1S/C21H22N4O/c1-13-5-6-16(11-22-13)15-7-8-17-18(9-15)25(20(26)21(17,3)4)19-12-23-14(2)10-24-19/h5-7,9-12,17H,8H2,1-4H3
InChIKeyDOPJAYYCIWMCLA-UHFFFAOYSA-N
XLogP3.85
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one?
The IUPAC name of 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one (CID 141468890) is 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one?
The canonical SMILES for 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one is Cc1ccc(C2=CCC3C(=C2)N(c2cnc(C)cn2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one?
The InChIKey is DOPJAYYCIWMCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-5-6-16(11-22-13)15-7-8-17-18(9-15)25(20(26)21(17,3)4)19-12-23-14(2)10-24-19/h5-7,9-12,17H,8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one?
3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one has a molecular weight of 346.43 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141468890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).