(3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone

C20H20F3N3O2 — CID 154831290

IUPAC(3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)c1
InChIInChI=1S/C20H20F3N3O2/c1-28-16-4-2-3-13(9-16)19(27)26-8-7-14-11-25(12-17(14)26)18-6-5-15(10-24-18)20(21,22)23/h2-6,9-10,14,17H,7-8,11-12H2,1H3
InChIKeyQOTMCCSQGSTQAS-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.46
Rot. Bonds3

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

(3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone (PubChem CID 154831290) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone
PubChem CID154831290
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name(3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)c1
InChIInChI=1S/C20H20F3N3O2/c1-28-16-4-2-3-13(9-16)19(27)26-8-7-14-11-25(12-17(14)26)18-6-5-15(10-24-18)20(21,22)23/h2-6,9-10,14,17H,7-8,11-12H2,1H3
InChIKeyQOTMCCSQGSTQAS-UHFFFAOYSA-N
XLogP3.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

cyclopropyl-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]methanone
CID 154831085
3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4877073
3-methoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142907
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
1-(3,5-dimethoxyphenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 121142878
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 155873390
(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 31377197
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone
CID 163346611
1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131640170

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone (CID 154831290) is (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone is COc1cccc(C(=O)N2CCC3CN(c4ccc(C(F)(F)F)cn4)CC32)c1.
What is the InChIKey of (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone?
The InChIKey is QOTMCCSQGSTQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-28-16-4-2-3-13(9-16)19(27)26-8-7-14-11-25(12-17(14)26)18-6-5-15(10-24-18)20(21,22)23/h2-6,9-10,14,17H,7-8,11-12H2,1H3.
What are the key properties of (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone?
(3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone has a molecular weight of 391.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methanone is sourced from PubChem (CID 154831290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).