5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine

C18H17F3N6O — CID 57391626

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(N4CC5CNCC5C4)nc32)c1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)28-14-3-1-2-13(6-14)27-17-15(24-25-27)4-5-16(23-17)26-9-11-7-22-8-12(11)10-26/h1-6,11-12,22H,7-10H2
InChIKeyZOSLTFMNLPTPHD-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.37
Rot. Bonds3

About 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine (PubChem CID 57391626) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
PubChem CID57391626
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(N4CC5CNCC5C4)nc32)c1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)28-14-3-1-2-13(6-14)27-17-15(24-25-27)4-5-16(23-17)26-9-11-7-22-8-12(11)10-26/h1-6,11-12,22H,7-10H2
InChIKeyZOSLTFMNLPTPHD-UHFFFAOYSA-N
XLogP2.37
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]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 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine (CID 57391626) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine is FC(F)(F)Oc1cccc(-n2nnc3ccc(N4CC5CNCC5C4)nc32)c1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The InChIKey is ZOSLTFMNLPTPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c19-18(20,21)28-14-3-1-2-13(6-14)27-17-15(24-25-27)4-5-16(23-17)26-9-11-7-22-8-12(11)10-26/h1-6,11-12,22H,7-10H2.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine has a molecular weight of 390.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine is sourced from PubChem (CID 57391626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).