[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C22H26N8O2 — CID 70980988

IUPAC[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCOc1cnc(C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)c(-n2nccn2)c1
InChIInChI=1S/C22H26N8O2/c1-13-14(2)26-22(27-15(13)3)29-11-16-9-28(10-17(16)12-29)21(31)20-19(30-24-5-6-25-30)7-18(32-4)8-23-20/h5-8,16-17H,9-12H2,1-4H3
InChIKeyVWLAXKPFPDHHSJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.59
Rot. Bonds4

About [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 70980988) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID70980988
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCOc1cnc(C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)c(-n2nccn2)c1
InChIInChI=1S/C22H26N8O2/c1-13-14(2)26-22(27-15(13)3)29-11-16-9-28(10-17(16)12-29)21(31)20-19(30-24-5-6-25-30)7-18(32-4)8-23-20/h5-8,16-17H,9-12H2,1-4H3
InChIKeyVWLAXKPFPDHHSJ-UHFFFAOYSA-N
XLogP1.59
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

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Related Compounds

1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(1-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazol-5-yl)ethane-1,2-dione
CID 73334716
[2-(5-Chloro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 67116324
[2-(5-Fluoro-4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 67116430
[2-(4,5-Dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 67116460
[2-[4-(Furan-2-yl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 67116477
2-(4,6-Dimethylpyrimidin-2-yl)-5-{[4-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
CID 67116494
2-(5-Fluoro-4-methylpyrimidin-2-yl)-5-{[4-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
CID 67116709
(5-(6-(Dimethylamino)-2-methylpyrimidin-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 67117234
(5-(6-(Dimethylamino)pyrimidin-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 69939313
2-{[4-(Difluoromethoxy)-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-5-(4,6-dimethylpyrimidin-2-yl)octahydropyrrolo[3,4-c]pyrrole
CID 70982658
US11053219, Example 147
CID 159310768
[2-(4,6-Dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 67116431

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 70980988) is [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is COc1cnc(C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)c(-n2nccn2)c1.
What is the InChIKey of [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is VWLAXKPFPDHHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-13-14(2)26-22(27-15(13)3)29-11-16-9-28(10-17(16)12-29)21(31)20-19(30-24-5-6-25-30)7-18(32-4)8-23-20/h5-8,16-17H,9-12H2,1-4H3.
What are the key properties of [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 434.50 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-3-(triazol-2-yl)-2-pyridinyl]-[2-(4,5,6-trimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 70980988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).