5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

C24H27N7O2 — CID 58981179

IUPAC5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCc1ccc2[nH]cc(Cn3nc4c(c3-c3cncn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1
InChIInChI=1S/C24H27N7O2/c1-14(2)11-30-22-20(23(32)29(5)24(30)33)21(19-10-25-13-28(19)4)31(27-22)12-16-9-26-18-7-6-15(3)8-17(16)18/h6-10,13-14,26H,11-12H2,1-5H3
InChIKeyOLESGRUHAZPLMG-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.79
Rot. Bonds5

About 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 58981179) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID58981179
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCc1ccc2[nH]cc(Cn3nc4c(c3-c3cncn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1
InChIInChI=1S/C24H27N7O2/c1-14(2)11-30-22-20(23(32)29(5)24(30)33)21(19-10-25-13-28(19)4)31(27-22)12-16-9-26-18-7-6-15(3)8-17(16)18/h6-10,13-14,26H,11-12H2,1-5H3
InChIKeyOLESGRUHAZPLMG-UHFFFAOYSA-N
XLogP2.79
TPSA95.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione 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 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 58981179) is 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cncn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1.
What is the InChIKey of 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is OLESGRUHAZPLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-14(2)11-30-22-20(23(32)29(5)24(30)33)21(19-10-25-13-28(19)4)31(27-22)12-16-9-26-18-7-6-15(3)8-17(16)18/h6-10,13-14,26H,11-12H2,1-5H3.
What are the key properties of 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 445.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylimidazol-4-yl)-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 58981179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).