2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane

C32H33F4N5 — CID 142488422

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

2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane (PubChem CID 142488422) has the molecular formula C32H33F4N5 and a molecular weight of 563.64 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane.

Molecular Properties

• Compound Name: 2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane
• PubChem CID: 142488422
• Molecular Formula: C32H33F4N5
• Molecular Weight: 563.64 g/mol
• Exact Mass: 563.27
• IUPAC Name: 2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane
• SMILES: C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(C)c(F)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2
• InChI: InChI=1S/C31H29F4N5.CH4/c1-4-19-7-6-8-20(5-2)29(19)40-30(23-15-18(3)27(32)28-22(23)11-13-36-28)24-17-39(14-12-25(24)38-40)26-10-9-21(16-37-26)31(33,34)35;/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3;1H4
• InChIKey: CBXIJMYTBVNGME-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 49.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.64
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane (CID 142488422) is 2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane.

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

The canonical SMILES for 2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane is C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(C)c(F)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2.

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

The InChIKey is CBXIJMYTBVNGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F4N5.CH4/c1-4-19-7-6-8-20(5-2)29(19)40-30(23-15-18(3)27(32)28-22(23)11-13-36-28)24-17-39(14-12-25(24)38-40)26-10-9-21(16-37-26)31(33,34)35;/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3;1H4.

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

2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane has a molecular weight of 563.64 g/mol, XLogP of 8.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane is sourced from PubChem (CID 142488422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).