3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

C21H25F3N4 — CID 134420829

IUPAC3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESFC(F)(F)c1ccccc1C1C[C@@H]2CN(Cc3n[nH]c4c3CCNC4)C[C@@H]2C1
InChIInChI=1S/C21H25F3N4/c22-21(23,24)18-4-2-1-3-16(18)13-7-14-10-28(11-15(14)8-13)12-20-17-5-6-25-9-19(17)26-27-20/h1-4,13-15,25H,5-12H2,(H,26,27)/t13?,14-,15+
InChIKeyCXYAHNIYNSHGQT-GOOCMWNKSA-N
MW390.45 g/mol
LogP3.70
Rot. Bonds3

About 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (PubChem CID 134420829) has the molecular formula C21H25F3N4 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
PubChem CID134420829
Molecular FormulaC21H25F3N4
Molecular Weight390.45 g/mol
Exact Mass390.20
IUPAC Name3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESFC(F)(F)c1ccccc1C1C[C@@H]2CN(Cc3n[nH]c4c3CCNC4)C[C@@H]2C1
InChIInChI=1S/C21H25F3N4/c22-21(23,24)18-4-2-1-3-16(18)13-7-14-10-28(11-15(14)8-13)12-20-17-5-6-25-9-19(17)26-27-20/h1-4,13-15,25H,5-12H2,(H,26,27)/t13?,14-,15+
InChIKeyCXYAHNIYNSHGQT-GOOCMWNKSA-N
XLogP3.70
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (CID 134420829) is 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is FC(F)(F)c1ccccc1C1C[C@@H]2CN(Cc3n[nH]c4c3CCNC4)C[C@@H]2C1.
What is the InChIKey of 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The InChIKey is CXYAHNIYNSHGQT-GOOCMWNKSA-N. The full InChI is InChI=1S/C21H25F3N4/c22-21(23,24)18-4-2-1-3-16(18)13-7-14-10-28(11-15(14)8-13)12-20-17-5-6-25-9-19(17)26-27-20/h1-4,13-15,25H,5-12H2,(H,26,27)/t13?,14-,15+.
What are the key properties of 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine has a molecular weight of 390.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 134420829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).