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

C22H20N6O3 — CID 129126903

IUPAC3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C22H20N6O3/c1-13-24-9-15(10-25-13)14-4-5-16-17(8-14)28(20(29)22(16,2)3)19-12-23-11-18(26-19)27-6-7-31-21(27)30/h4-5,8-12H,6-7H2,1-3H3
InChIKeyLWVHHVOPXGLKST-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.15
Rot. Bonds3

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

3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 129126903) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID129126903
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C22H20N6O3/c1-13-24-9-15(10-25-13)14-4-5-16-17(8-14)28(20(29)22(16,2)3)19-12-23-11-18(26-19)27-6-7-31-21(27)30/h4-5,8-12H,6-7H2,1-3H3
InChIKeyLWVHHVOPXGLKST-UHFFFAOYSA-N
XLogP3.15
TPSA101.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 129126903) is 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOC4=O)n2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is LWVHHVOPXGLKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-13-24-9-15(10-25-13)14-4-5-16-17(8-14)28(20(29)22(16,2)3)19-12-23-11-18(26-19)27-6-7-31-21(27)30/h4-5,8-12H,6-7H2,1-3H3.
What are the key properties of 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 416.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129126903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).