7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine

C19H23N7 — CID 126933616

IUPAC7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC3CN(c4ncnc(C)c4C)CC3C2)n2nccc2n1
InChIInChI=1S/C19H23N7/c1-12-6-18(26-17(23-12)4-5-22-26)24-7-15-9-25(10-16(15)8-24)19-13(2)14(3)20-11-21-19/h4-6,11,15-16H,7-10H2,1-3H3
InChIKeySZNCGPCTKLUFLJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.02
Rot. Bonds2

About 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine

7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 126933616) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID126933616
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC3CN(c4ncnc(C)c4C)CC3C2)n2nccc2n1
InChIInChI=1S/C19H23N7/c1-12-6-18(26-17(23-12)4-5-22-26)24-7-15-9-25(10-16(15)8-24)19-13(2)14(3)20-11-21-19/h4-6,11,15-16H,7-10H2,1-3H3
InChIKeySZNCGPCTKLUFLJ-UHFFFAOYSA-N
XLogP2.02
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891656
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole
CID 155942033
1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945584
6-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 155980569
7-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56899517
5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933592
7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56902175
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933437
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933353
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913

Frequently Asked Questions

What is the IUPAC name of 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 126933616) is 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CC3CN(c4ncnc(C)c4C)CC3C2)n2nccc2n1.
What is the InChIKey of 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SZNCGPCTKLUFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-12-6-18(26-17(23-12)4-5-22-26)24-7-15-9-25(10-16(15)8-24)19-13(2)14(3)20-11-21-19/h4-6,11,15-16H,7-10H2,1-3H3.
What are the key properties of 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126933616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).