2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one

C24H28N6O — CID 137374035

IUPAC2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cn3c(=O)cc(-c4cc(C)c5nn(C)cc5c4)nc3c(C)n2)CC1
InChIInChI=1S/C24H28N6O/c1-5-29-8-6-17(7-9-29)21-14-30-22(31)12-20(26-24(30)16(3)25-21)18-10-15(2)23-19(11-18)13-28(4)27-23/h10-14,17H,5-9H2,1-4H3
InChIKeyJXNPSQKEDZQMSB-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.46
Rot. Bonds3

About 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one

2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 137374035) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID137374035
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cn3c(=O)cc(-c4cc(C)c5nn(C)cc5c4)nc3c(C)n2)CC1
InChIInChI=1S/C24H28N6O/c1-5-29-8-6-17(7-9-29)21-14-30-22(31)12-20(26-24(30)16(3)25-21)18-10-15(2)23-19(11-18)13-28(4)27-23/h10-14,17H,5-9H2,1-4H3
InChIKeyJXNPSQKEDZQMSB-UHFFFAOYSA-N
XLogP3.46
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one (CID 137374035) is 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one is CCN1CCC(c2cn3c(=O)cc(-c4cc(C)c5nn(C)cc5c4)nc3c(C)n2)CC1.
What is the InChIKey of 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is JXNPSQKEDZQMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-5-29-8-6-17(7-9-29)21-14-30-22(31)12-20(26-24(30)16(3)25-21)18-10-15(2)23-19(11-18)13-28(4)27-23/h10-14,17H,5-9H2,1-4H3.
What are the key properties of 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 416.53 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 2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137374035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).