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

C14H16F3N3O — CID 126818111

IUPAC[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCN1C[C@@H]2CN(C(=O)c3cccnc3C(F)(F)F)C[C@@H]2C1
InChIInChI=1S/C14H16F3N3O/c1-19-5-9-7-20(8-10(9)6-19)13(21)11-3-2-4-18-12(11)14(15,16)17/h2-4,9-10H,5-8H2,1H3/t9-,10+
InChIKeyUOCDBJNNDZBRGH-AOOOYVTPSA-N
MW299.30 g/mol
LogP1.73
Rot. Bonds1

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

[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 126818111) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID126818111
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCN1C[C@@H]2CN(C(=O)c3cccnc3C(F)(F)F)C[C@@H]2C1
InChIInChI=1S/C14H16F3N3O/c1-19-5-9-7-20(8-10(9)6-19)13(21)11-3-2-4-18-12(11)14(15,16)17/h2-4,9-10H,5-8H2,1H3/t9-,10+
InChIKeyUOCDBJNNDZBRGH-AOOOYVTPSA-N
XLogP1.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 129346774
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 128988519
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 155942020
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 166618895
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 59447385
[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 86286766
1-[3-methyl-4-(sulfinoamino)benzoyl]-4-[2-(trifluoromethyl)pyridine-3-carbonyl]piperazine
CID 129042628
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 126818111) is [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is CN1C[C@@H]2CN(C(=O)c3cccnc3C(F)(F)F)C[C@@H]2C1.
What is the InChIKey of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is UOCDBJNNDZBRGH-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-19-5-9-7-20(8-10(9)6-19)13(21)11-3-2-4-18-12(11)14(15,16)17/h2-4,9-10H,5-8H2,1H3/t9-,10+.
What are the key properties of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 299.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 126818111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).