8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene

C29H23F4N3O — CID 144962322

About 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene

8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene (PubChem CID 144962322) has the molecular formula C29H23F4N3O and a molecular weight of 505.52 g/mol. Its IUPAC name is 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene.

Molecular Properties

• Compound Name: 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
• PubChem CID: 144962322
• Molecular Formula: C29H23F4N3O
• Molecular Weight: 505.52 g/mol
• Exact Mass: 505.18
• IUPAC Name: 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
• SMILES: Fc1cc2c(cc1COc1cc3c(cn1)C1CC1C3)C(c1ccccc1C(F)(F)F)CC2n1cccn1
• InChI: InChI=1S/C29H23F4N3O/c30-26-12-23-21(10-18(26)15-37-28-11-17-8-16-9-20(16)24(17)14-34-28)22(13-27(23)36-7-3-6-35-36)19-4-1-2-5-25(19)29(31,32)33/h1-7,10-12,14,16,20,22,27H,8-9,13,15H2
• InChIKey: PNSKWOPFDAILGJ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.52
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?

The IUPAC name of 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene (CID 144962322) is 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene.

What is the SMILES notation for 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?

The canonical SMILES for 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene is Fc1cc2c(cc1COc1cc3c(cn1)C1CC1C3)C(c1ccccc1C(F)(F)F)CC2n1cccn1.

What is the InChIKey of 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?

The InChIKey is PNSKWOPFDAILGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4N3O/c30-26-12-23-21(10-18(26)15-37-28-11-17-8-16-9-20(16)24(17)14-34-28)22(13-27(23)36-7-3-6-35-36)19-4-1-2-5-25(19)29(31,32)33/h1-7,10-12,14,16,20,22,27H,8-9,13,15H2.

What are the key properties of 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?

8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene has a molecular weight of 505.52 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[6-fluoro-1-pyrazol-1-yl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene is sourced from PubChem (CID 144962322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).