3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide

C26H23F4N3O — CID 73350834

About 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide

3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide (PubChem CID 73350834) has the molecular formula C26H23F4N3O and a molecular weight of 469.48 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide
• PubChem CID: 73350834
• Molecular Formula: C26H23F4N3O
• Molecular Weight: 469.48 g/mol
• Exact Mass: 469.18
• IUPAC Name: 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide
• SMILES: CC(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
• InChI: InChI=1S/C26H23F4N3O/c1-17(15-31-24(34)14-26(28,29)30)25(18-5-3-2-4-6-18)19-7-12-23-20(13-19)16-32-33(23)22-10-8-21(27)9-11-22/h2-13,16-17,25H,14-15H2,1H3,(H,31,34)/t17?,25-/m0/s1
• InChIKey: ONJOAXGRGNHUGJ-HHPDBAQJSA-N
• XLogP: 6.00
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.48
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide?

The IUPAC name of 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide (CID 73350834) is 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide.

What is the SMILES notation for 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide?

The canonical SMILES for 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide is CC(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.

What is the InChIKey of 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide?

The InChIKey is ONJOAXGRGNHUGJ-HHPDBAQJSA-N. The full InChI is InChI=1S/C26H23F4N3O/c1-17(15-31-24(34)14-26(28,29)30)25(18-5-3-2-4-6-18)19-7-12-23-20(13-19)16-32-33(23)22-10-8-21(27)9-11-22/h2-13,16-17,25H,14-15H2,1H3,(H,31,34)/t17?,25-/m0/s1.

What are the key properties of 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide?

3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide has a molecular weight of 469.48 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]propanamide is sourced from PubChem (CID 73350834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).