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

C20H26N8O2S — CID 126933106

IUPAC2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)n(-c2cc(N3CC4CN(S(=O)(=O)c5c(C)n[nH]c5C)CC4C3)ncn2)n1
InChIInChI=1S/C20H26N8O2S/c1-12-5-13(2)28(25-12)19-6-18(21-11-22-19)26-7-16-9-27(10-17(16)8-26)31(29,30)20-14(3)23-24-15(20)4/h5-6,11,16-17H,7-10H2,1-4H3,(H,23,24)
InChIKeyVDOQBTKZBYPWDN-UHFFFAOYSA-N
MW442.55 g/mol
LogP1.38
Rot. Bonds4

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

2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933106) has the molecular formula C20H26N8O2S and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933106
Molecular FormulaC20H26N8O2S
Molecular Weight442.55 g/mol
Exact Mass442.19
IUPAC Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)n(-c2cc(N3CC4CN(S(=O)(=O)c5c(C)n[nH]c5C)CC4C3)ncn2)n1
InChIInChI=1S/C20H26N8O2S/c1-12-5-13(2)28(25-12)19-6-18(21-11-22-19)26-7-16-9-27(10-17(16)8-26)31(29,30)20-14(3)23-24-15(20)4/h5-6,11,16-17H,7-10H2,1-4H3,(H,23,24)
InChIKeyVDOQBTKZBYPWDN-UHFFFAOYSA-N
XLogP1.38
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932019
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933102
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933117
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
4-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]morpholine
CID 126933129
5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933126
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346814
1-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrrolidin-2-one
CID 126933238
4-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-1,4-oxazepan-3-one
CID 126933234
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072487
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide
CID 121168871
3,5-dimethyl-4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-1,2-oxazole
CID 126858185

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933106) is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(C)n(-c2cc(N3CC4CN(S(=O)(=O)c5c(C)n[nH]c5C)CC4C3)ncn2)n1.
What is the InChIKey of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is VDOQBTKZBYPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2S/c1-12-5-13(2)28(25-12)19-6-18(21-11-22-19)26-7-16-9-27(10-17(16)8-26)31(29,30)20-14(3)23-24-15(20)4/h5-6,11,16-17H,7-10H2,1-4H3,(H,23,24).
What are the key properties of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 442.55 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).