3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one

C23H24N6O — CID 129104160

IUPAC3,3-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
InChIInChI=1S/C23H24N6O/c1-15-25-11-17(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/h6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyBZFAIJMAGVZQDA-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.80
Rot. Bonds3

About 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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one (PubChem CID 129104160) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one
PubChem CID129104160
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name3,3-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
InChIInChI=1S/C23H24N6O/c1-15-25-11-17(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/h6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyBZFAIJMAGVZQDA-UHFFFAOYSA-N
XLogP3.80
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.80
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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one (CID 129104160) is 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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one?
The canonical SMILES for 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.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one?
The InChIKey is BZFAIJMAGVZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-15-25-11-17(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/h6-7,10-14H,4-5,8-9H2,1-3H3.
What are the key properties of 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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one has a molecular weight of 400.49 g/mol, XLogP of 3.80, 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-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one is sourced from PubChem (CID 129104160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).