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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one

C46H46N12O3 — CID 157049802

IUPAC3,3-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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4)n2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H22N6O2.C23H24N6O/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;1-15-25-11-17(12-26-15)16-6-7-18-19(10-16)29(22(30)23(18,2)3)21-14-24-13-20(27-21)28-8-4-5-9-28/h6-7,9-13H,4-5,8H2,1-3H3;6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyAABGQZRVNLBYAI-UHFFFAOYSA-N
MW814.96 g/mol
LogP7.12
Rot. Bonds6

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-pyrrolidin-1-ylpyrazin-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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one (PubChem CID 157049802) has the molecular formula C46H46N12O3 and a molecular weight of 814.96 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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one
PubChem CID157049802
Molecular FormulaC46H46N12O3
Molecular Weight814.96 g/mol
Exact Mass814.38
IUPAC Name3,3-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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4)n2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4=O)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H22N6O2.C23H24N6O/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;1-15-25-11-17(12-26-15)16-6-7-18-19(10-16)29(22(30)23(18,2)3)21-14-24-13-20(27-21)28-8-4-5-9-28/h6-7,9-13H,4-5,8H2,1-3H3;6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyAABGQZRVNLBYAI-UHFFFAOYSA-N
XLogP7.12
TPSA167.29 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.96
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one with MolForge

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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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one (CID 157049802) is 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-pyrrolidin-1-ylpyrazin-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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4)n2)C(=O)C3(C)C)cn1.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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one?
The InChIKey is AABGQZRVNLBYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.C23H24N6O/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;1-15-25-11-17(12-26-15)16-6-7-18-19(10-16)29(22(30)23(18,2)3)21-14-24-13-20(27-21)28-8-4-5-9-28/h6-7,9-13H,4-5,8H2,1-3H3;6-7,10-14H,4-5,8-9H2,1-3H3.
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-pyrrolidin-1-ylpyrazin-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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one has a molecular weight of 814.96 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 12 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;3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one is sourced from PubChem (CID 157049802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).