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

C23H22N6O3 — CID 129104300

IUPAC3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc(C)c(N4CCOC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H22N6O3/c1-13-20(28-7-8-32-22(28)31)27-19(12-24-13)29-18-9-15(16-10-25-14(2)26-11-16)5-6-17(18)23(3,4)21(29)30/h5-6,9-12H,7-8H2,1-4H3
InChIKeyJGRWRDXQIOUQFM-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.46
Rot. Bonds3

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

3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 129104300) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID129104300
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc(C)c(N4CCOC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H22N6O3/c1-13-20(28-7-8-32-22(28)31)27-19(12-24-13)29-18-9-15(16-10-25-14(2)26-11-16)5-6-17(18)23(3,4)21(29)30/h5-6,9-12H,7-8H2,1-4H3
InChIKeyJGRWRDXQIOUQFM-UHFFFAOYSA-N
XLogP3.46
TPSA101.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.46
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]-3-methylpyrazin-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]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one (CID 129104300) is 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-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]-3-methylpyrazin-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]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cnc(C)c(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]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is JGRWRDXQIOUQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-13-20(28-7-8-32-22(28)31)27-19(12-24-13)29-18-9-15(16-10-25-14(2)26-11-16)5-6-17(18)23(3,4)21(29)30/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 430.47 g/mol, XLogP of 3.46, 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]-3-methylpyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129104300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).