[4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C20H20FN7O — CID 67116347

IUPAC[4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1cncc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1
InChIInChI=1S/C20H20FN7O/c1-13-7-22-8-19(25-13)26-9-14-11-27(12-15(14)10-26)20(29)17-3-2-16(21)6-18(17)28-23-4-5-24-28/h2-8,14-15H,9-12H2,1H3
InChIKeyCJYNGMZSGMCHJD-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.71
Rot. Bonds3

About [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

[4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 67116347) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID67116347
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name[4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1cncc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1
InChIInChI=1S/C20H20FN7O/c1-13-7-22-8-19(25-13)26-9-14-11-27(12-15(14)10-26)20(29)17-3-2-16(21)6-18(17)28-23-4-5-24-28/h2-8,14-15H,9-12H2,1H3
InChIKeyCJYNGMZSGMCHJD-UHFFFAOYSA-N
XLogP1.71
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 67116347) is [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is Cc1cncc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1.
What is the InChIKey of [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is CJYNGMZSGMCHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-13-7-22-8-19(25-13)26-9-14-11-27(12-15(14)10-26)20(29)17-3-2-16(21)6-18(17)28-23-4-5-24-28/h2-8,14-15H,9-12H2,1H3.
What are the key properties of [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
[4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 393.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(triazol-2-yl)phenyl]-[2-(6-methylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 67116347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).