N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid

C24H24F4N4O2 — CID 166217816

About N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 166217816) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
• PubChem CID: 166217816
• Molecular Formula: C24H24F4N4O2
• Molecular Weight: 476.47 g/mol
• Exact Mass: 476.18
• IUPAC Name: N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
• SMILES: Cc1nn(-c2ccc(F)cc2)c(C)c1CN(C)Cc1cccc2cc[nH]c12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H23FN4.C2HF3O2/c1-15-21(16(2)27(25-15)20-9-7-19(23)8-10-20)14-26(3)13-18-6-4-5-17-11-12-24-22(17)18;3-2(4,5)1(6)7/h4-12,24H,13-14H2,1-3H3;(H,6,7)
• InChIKey: GEUIHBUAMYFXKQ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 74.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.47
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid (CID 166217816) is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid is Cc1nn(-c2ccc(F)cc2)c(C)c1CN(C)Cc1cccc2cc[nH]c12.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?

The InChIKey is GEUIHBUAMYFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4.C2HF3O2/c1-15-21(16(2)27(25-15)20-9-7-19(23)8-10-20)14-26(3)13-18-6-4-5-17-11-12-24-22(17)18;3-2(4,5)1(6)7/h4-12,24H,13-14H2,1-3H3;(H,6,7).

What are the key properties of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 476.47 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(1H-indol-7-yl)-N-methylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166217816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).