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

C21H26N8 — CID 126933185

IUPAC5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cncc(CN2CC3CN(c4cc(-n5nc(C)cc5C)ncn4)CC3C2)n1
InChIInChI=1S/C21H26N8/c1-14-4-16(3)29(26-14)21-5-20(23-13-24-21)28-10-17-8-27(9-18(17)11-28)12-19-7-22-6-15(2)25-19/h4-7,13,17-18H,8-12H2,1-3H3
InChIKeySYBAYQVPMRMNTH-UHFFFAOYSA-N
MW390.50 g/mol
LogP1.95
Rot. Bonds4

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

5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933185) has the molecular formula C21H26N8 and a molecular weight of 390.50 g/mol. Its IUPAC name is 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933185
Molecular FormulaC21H26N8
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cncc(CN2CC3CN(c4cc(-n5nc(C)cc5C)ncn4)CC3C2)n1
InChIInChI=1S/C21H26N8/c1-14-4-16(3)29(26-14)21-5-20(23-13-24-21)28-10-17-8-27(9-18(17)11-28)12-19-7-22-6-15(2)25-19/h4-7,13,17-18H,8-12H2,1-3H3
InChIKeySYBAYQVPMRMNTH-UHFFFAOYSA-N
XLogP1.95
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

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
2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933134
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-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933126
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
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
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346859
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
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]-N-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346814
2-methyl-4-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126931815
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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-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-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933185) is 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-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-[(6-methylpyrazin-2-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-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cncc(CN2CC3CN(c4cc(-n5nc(C)cc5C)ncn4)CC3C2)n1.
What is the InChIKey of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is SYBAYQVPMRMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8/c1-14-4-16(3)29(26-14)21-5-20(23-13-24-21)28-10-17-8-27(9-18(17)11-28)12-19-7-22-6-15(2)25-19/h4-7,13,17-18H,8-12H2,1-3H3.
What are the key properties of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 390.50 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).