4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C20H24N6 — CID 139027454

IUPAC4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CC3CN(Cc4ccccc4)CC3C2)c2cnn(C)c2n1
InChIInChI=1S/C20H24N6/c1-14-22-19-18(8-21-24(19)2)20(23-14)26-12-16-10-25(11-17(16)13-26)9-15-6-4-3-5-7-15/h3-8,16-17H,9-13H2,1-2H3
InChIKeyDECNQVATXSSVAJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.24
Rot. Bonds3

About 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 139027454) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID139027454
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CC3CN(Cc4ccccc4)CC3C2)c2cnn(C)c2n1
InChIInChI=1S/C20H24N6/c1-14-22-19-18(8-21-24(19)2)20(23-14)26-12-16-10-25(11-17(16)13-26)9-15-6-4-3-5-7-15/h3-8,16-17H,9-13H2,1-2H3
InChIKeyDECNQVATXSSVAJ-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine 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 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 139027454) is 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is Cc1nc(N2CC3CN(Cc4ccccc4)CC3C2)c2cnn(C)c2n1.
What is the InChIKey of 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DECNQVATXSSVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-14-22-19-18(8-21-24(19)2)20(23-14)26-12-16-10-25(11-17(16)13-26)9-15-6-4-3-5-7-15/h3-8,16-17H,9-13H2,1-2H3.
What are the key properties of 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 139027454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).