8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine

C15H16F3N3 — CID 155231197

IUPAC8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESFC(F)(F)c1cc(C2C[C@H]3CNC[C@H]3C2)c2cncn2c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-13(14-6-20-8-21(14)7-12)9-1-10-4-19-5-11(10)2-9/h3,6-11,19H,1-2,4-5H2/t9?,10-,11+
InChIKeyTWESJGPMRTVFCG-FGWVZKOKSA-N
MW295.31 g/mol
LogP3.07
Rot. Bonds1

About 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine

8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine (PubChem CID 155231197) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine
PubChem CID155231197
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESFC(F)(F)c1cc(C2C[C@H]3CNC[C@H]3C2)c2cncn2c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-13(14-6-20-8-21(14)7-12)9-1-10-4-19-5-11(10)2-9/h3,6-11,19H,1-2,4-5H2/t9?,10-,11+
InChIKeyTWESJGPMRTVFCG-FGWVZKOKSA-N
XLogP3.07
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine 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 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine (CID 155231197) is 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine is FC(F)(F)c1cc(C2C[C@H]3CNC[C@H]3C2)c2cncn2c1.
What is the InChIKey of 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine?
The InChIKey is TWESJGPMRTVFCG-FGWVZKOKSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)12-3-13(14-6-20-8-21(14)7-12)9-1-10-4-19-5-11(10)2-9/h3,6-11,19H,1-2,4-5H2/t9?,10-,11+.
What are the key properties of 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine?
8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine has a molecular weight of 295.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 155231197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).