3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C20H28N6 — CID 126933453

IUPAC3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1ncnc(N2CC3CN(Cc4cnn5c4CCCC5)CC3C2)c1C
InChIInChI=1S/C20H28N6/c1-14-15(2)21-13-22-20(14)25-11-17-9-24(10-18(17)12-25)8-16-7-23-26-6-4-3-5-19(16)26/h7,13,17-18H,3-6,8-12H2,1-2H3
InChIKeyQUMBCFSPNIEUGB-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.19
Rot. Bonds3

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

3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 126933453) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID126933453
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1ncnc(N2CC3CN(Cc4cnn5c4CCCC5)CC3C2)c1C
InChIInChI=1S/C20H28N6/c1-14-15(2)21-13-22-20(14)25-11-17-9-24(10-18(17)12-25)8-16-7-23-26-6-4-3-5-19(16)26/h7,13,17-18H,3-6,8-12H2,1-2H3
InChIKeyQUMBCFSPNIEUGB-UHFFFAOYSA-N
XLogP2.19
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 126933453) is 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Cc1ncnc(N2CC3CN(Cc4cnn5c4CCCC5)CC3C2)c1C.
What is the InChIKey of 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is QUMBCFSPNIEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-14-15(2)21-13-22-20(14)25-11-17-9-24(10-18(17)12-25)8-16-7-23-26-6-4-3-5-19(16)26/h7,13,17-18H,3-6,8-12H2,1-2H3.
What are the key properties of 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 352.49 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 126933453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).