4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine

C17H19N7 — CID 126933976

IUPAC4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1cncnc1N1CC2CN(c3nccn4nccc34)CC2C1
InChIInChI=1S/C17H19N7/c1-12-6-18-11-20-16(12)22-7-13-9-23(10-14(13)8-22)17-15-2-3-21-24(15)5-4-19-17/h2-6,11,13-14H,7-10H2,1H3
InChIKeyXTOKAHRDDUHKBF-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.40
Rot. Bonds2

About 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine

4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 126933976) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine
PubChem CID126933976
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1cncnc1N1CC2CN(c3nccn4nccc34)CC2C1
InChIInChI=1S/C17H19N7/c1-12-6-18-11-20-16(12)22-7-13-9-23(10-14(13)8-22)17-15-2-3-21-24(15)5-4-19-17/h2-6,11,13-14H,7-10H2,1H3
InChIKeyXTOKAHRDDUHKBF-UHFFFAOYSA-N
XLogP1.40
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[2,3-d]pyrimidine
CID 126934207
4-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-amine
CID 103577532
2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934158
5-(5-methylpyrimidin-4-yl)-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934054
4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830011
1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one
CID 126934061
5-(5-methylpyrimidin-4-yl)-2-(2-pyrrolidin-1-ylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933952
5,6-dimethyl-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126933939
2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
CID 104734139
2-(5-methylpyrimidin-4-yl)-5-pyrrolidin-1-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933914
2-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazole
CID 126934167
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone
CID 113446199

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine (CID 126933976) is 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine is Cc1cncnc1N1CC2CN(c3nccn4nccc34)CC2C1.
What is the InChIKey of 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is XTOKAHRDDUHKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-12-6-18-11-20-16(12)22-7-13-9-23(10-14(13)8-22)17-15-2-3-21-24(15)5-4-19-17/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine?
4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 321.39 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 126933976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).