[2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone

C24H18F3N5O2 — CID 70982026

IUPAC[2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(F)c1-c1ncco1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1
InChIInChI=1S/C24H18F3N5O2/c25-16-3-1-2-15(22(16)23-28-4-5-34-23)24(33)32-11-13-9-31(10-14(13)12-32)21-8-29-19-6-17(26)18(27)7-20(19)30-21/h1-8,13-14H,9-12H2
InChIKeySUMVDFHSJADIHY-UHFFFAOYSA-N
MW465.44 g/mol
LogP3.91
Rot. Bonds3

About [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone

[2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone (PubChem CID 70982026) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
PubChem CID70982026
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name[2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(F)c1-c1ncco1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1
InChIInChI=1S/C24H18F3N5O2/c25-16-3-1-2-15(22(16)23-28-4-5-34-23)24(33)32-11-13-9-31(10-14(13)12-32)21-8-29-19-6-17(26)18(27)7-20(19)30-21/h1-8,13-14H,9-12H2
InChIKeySUMVDFHSJADIHY-UHFFFAOYSA-N
XLogP3.91
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone (CID 70982026) is [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone is O=C(c1cccc(F)c1-c1ncco1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1.
What is the InChIKey of [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
The InChIKey is SUMVDFHSJADIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c25-16-3-1-2-15(22(16)23-28-4-5-34-23)24(33)32-11-13-9-31(10-14(13)12-32)21-8-29-19-6-17(26)18(27)7-20(19)30-21/h1-8,13-14H,9-12H2.
What are the key properties of [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone?
[2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone has a molecular weight of 465.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone is sourced from PubChem (CID 70982026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).