2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide

C25H25F4N5O2S — CID 67199200

About 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide

2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide (PubChem CID 67199200) has the molecular formula C25H25F4N5O2S and a molecular weight of 535.57 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide
• PubChem CID: 67199200
• Molecular Formula: C25H25F4N5O2S
• Molecular Weight: 535.57 g/mol
• Exact Mass: 535.17
• IUPAC Name: 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide
• SMILES: C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(Cc1cccnn1)S(=O)(=O)CC(F)(F)F)CC2
• InChI: InChI=1S/C25H25F4N5O2S/c1-16-22-12-31-34(21-8-6-19(26)7-9-21)23(22)11-17-4-5-18(24(16)17)13-33(14-20-3-2-10-30-32-20)37(35,36)15-25(27,28)29/h2-3,6-12,16,18,31H,4-5,13-15H2,1H3/t16-,18+/m0/s1
• InChIKey: GRYLTTWGYHORML-FUHWJXTLSA-N
• XLogP: 4.46
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.57
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide?

The IUPAC name of 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide (CID 67199200) is 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide?

The canonical SMILES for 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide is C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(Cc1cccnn1)S(=O)(=O)CC(F)(F)F)CC2.

What is the InChIKey of 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide?

The InChIKey is GRYLTTWGYHORML-FUHWJXTLSA-N. The full InChI is InChI=1S/C25H25F4N5O2S/c1-16-22-12-31-34(21-8-6-19(26)7-9-21)23(22)11-17-4-5-18(24(16)17)13-33(14-20-3-2-10-30-32-20)37(35,36)15-25(27,28)29/h2-3,6-12,16,18,31H,4-5,13-15H2,1H3/t16-,18+/m0/s1.

What are the key properties of 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide?

2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide has a molecular weight of 535.57 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(pyridazin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 67199200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).