3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one

C23H22N6O2 — CID 129104124

IUPAC3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H22N6O2/c1-14-25-10-16(11-26-14)15-6-7-17-18(9-15)29(22(31)23(17,2)3)20-13-24-12-19(27-20)28-8-4-5-21(28)30/h6-7,9-13H,4-5,8H2,1-3H3
InChIKeyAEENHDGSIRJASM-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.32
Rot. Bonds3

About 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one (PubChem CID 129104124) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one
PubChem CID129104124
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H22N6O2/c1-14-25-10-16(11-26-14)15-6-7-17-18(9-15)29(22(31)23(17,2)3)20-13-24-12-19(27-20)28-8-4-5-21(28)30/h6-7,9-13H,4-5,8H2,1-3H3
InChIKeyAEENHDGSIRJASM-UHFFFAOYSA-N
XLogP3.32
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one (CID 129104124) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4=O)n2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one?
The InChIKey is AEENHDGSIRJASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-14-25-10-16(11-26-14)15-6-7-17-18(9-15)29(22(31)23(17,2)3)20-13-24-12-19(27-20)28-8-4-5-21(28)30/h6-7,9-13H,4-5,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one?
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one is sourced from PubChem (CID 129104124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).