5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C20H26N8 — CID 126933230

About 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933230) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

• Compound Name: 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
• PubChem CID: 126933230
• Molecular Formula: C20H26N8
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.23
• IUPAC Name: 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
• SMILES: Cc1cc(C)n(-c2cc(N3CC4CN(Cc5cc(C)[nH]n5)CC4C3)ncn2)n1
• InChI: InChI=1S/C20H26N8/c1-13-5-18(24-23-13)11-26-7-16-9-27(10-17(16)8-26)19-6-20(22-12-21-19)28-15(3)4-14(2)25-28/h4-6,12,16-17H,7-11H2,1-3H3,(H,23,24)
• InChIKey: GXKCVGVSNMXFPN-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 78.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?

The IUPAC name of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933230) is 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

What is the SMILES notation for 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?

The canonical SMILES for 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(C)n(-c2cc(N3CC4CN(Cc5cc(C)[nH]n5)CC4C3)ncn2)n1.

What is the InChIKey of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?

The InChIKey is GXKCVGVSNMXFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-13-5-18(24-23-13)11-26-7-16-9-27(10-17(16)8-26)19-6-20(22-12-21-19)28-15(3)4-14(2)25-28/h4-6,12,16-17H,7-11H2,1-3H3,(H,23,24).

What are the key properties of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?

5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 378.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).