5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C32H30ClF3N4 — CID 146382955

About 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 146382955) has the molecular formula C32H30ClF3N4 and a molecular weight of 563.07 g/mol. Its IUPAC name is 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 146382955
• Molecular Formula: C32H30ClF3N4
• Molecular Weight: 563.07 g/mol
• Exact Mass: 562.21
• IUPAC Name: 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1cc(Cl)ccc1C(F)(F)F)CC2
• InChI: InChI=1S/C32H30ClF3N4/c1-3-20-6-5-7-21(4-2)30(20)40-31(23-8-11-28-22(16-23)12-14-37-28)26-19-39(15-13-29(26)38-40)18-24-17-25(33)9-10-27(24)32(34,35)36/h5-12,14,16-17,37H,3-4,13,15,18-19H2,1-2H3
• InChIKey: UFOMYEQSNJYDQU-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 36.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.07
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 146382955) is 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1cc(Cl)ccc1C(F)(F)F)CC2.

What is the InChIKey of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is UFOMYEQSNJYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClF3N4/c1-3-20-6-5-7-21(4-2)30(20)40-31(23-8-11-28-22(16-23)12-14-37-28)26-19-39(15-13-29(26)38-40)18-24-17-25(33)9-10-27(24)32(34,35)36/h5-12,14,16-17,37H,3-4,13,15,18-19H2,1-2H3.

What are the key properties of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 563.07 g/mol, XLogP of 8.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 146382955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).