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

C26H28N6O3 — CID 69430814

IUPAC2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCOc1ccc2ccccc2c1Cn1nc2c(c1-c1nccn1C)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C26H28N6O3/c1-16(2)14-31-23-21(25(33)30(4)26(31)34)22(24-27-12-13-29(24)3)32(28-23)15-19-18-9-7-6-8-17(18)10-11-20(19)35-5/h6-13,16H,14-15H2,1-5H3
InChIKeyQCDYKQXCNGQWLE-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.16
Rot. Bonds6

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

2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 69430814) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID69430814
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCOc1ccc2ccccc2c1Cn1nc2c(c1-c1nccn1C)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C26H28N6O3/c1-16(2)14-31-23-21(25(33)30(4)26(31)34)22(24-27-12-13-29(24)3)32(28-23)15-19-18-9-7-6-8-17(18)10-11-20(19)35-5/h6-13,16H,14-15H2,1-5H3
InChIKeyQCDYKQXCNGQWLE-UHFFFAOYSA-N
XLogP3.16
TPSA88.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-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 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 69430814) is 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is COc1ccc2ccccc2c1Cn1nc2c(c1-c1nccn1C)c(=O)n(C)c(=O)n2CC(C)C.
What is the InChIKey of 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is QCDYKQXCNGQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-16(2)14-31-23-21(25(33)30(4)26(31)34)22(24-27-12-13-29(24)3)32(28-23)15-19-18-9-7-6-8-17(18)10-11-20(19)35-5/h6-13,16H,14-15H2,1-5H3.
What are the key properties of 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 472.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxynaphthalen-1-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 69430814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).