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

C23H21N7O — CID 129126865

IUPAC3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc(-n4ccnc4C)cn2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H21N7O/c1-14-25-10-17(11-26-14)16-5-6-18-19(9-16)30(22(31)23(18,3)4)21-13-27-20(12-28-21)29-8-7-24-15(29)2/h5-13H,1-4H3
InChIKeyPBZHRILHADNSNO-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.69
Rot. Bonds3

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

3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one (PubChem CID 129126865) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one
PubChem CID129126865
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc(-n4ccnc4C)cn2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H21N7O/c1-14-25-10-17(11-26-14)16-5-6-18-19(9-16)30(22(31)23(18,3)4)21-13-27-20(12-28-21)29-8-7-24-15(29)2/h5-13H,1-4H3
InChIKeyPBZHRILHADNSNO-UHFFFAOYSA-N
XLogP3.69
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one (CID 129126865) is 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cnc(-n4ccnc4C)cn2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one?
The InChIKey is PBZHRILHADNSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-14-25-10-17(11-26-14)16-5-6-18-19(9-16)30(22(31)23(18,3)4)21-13-27-20(12-28-21)29-8-7-24-15(29)2/h5-13H,1-4H3.
What are the key properties of 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one?
3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one has a molecular weight of 411.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[5-(2-methylimidazol-1-yl)pyrazin-2-yl]-6-(2-methylpyrimidin-5-yl)indol-2-one is sourced from PubChem (CID 129126865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).