N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

C26H29F4N5O3S — CID 67195872

About N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 67195872) has the molecular formula C26H29F4N5O3S and a molecular weight of 567.61 g/mol. Its IUPAC name is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
• PubChem CID: 67195872
• Molecular Formula: C26H29F4N5O3S
• Molecular Weight: 567.61 g/mol
• Exact Mass: 567.19
• IUPAC Name: N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
• SMILES: COCCN(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)S(=O)(=O)c1cn(C)nc1C(F)(F)F
• InChI: InChI=1S/C26H29F4N5O3S/c1-16-21-13-31-35(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(24(16)17)14-34(10-11-38-3)39(36,37)23-15-33(2)32-25(23)26(28,29)30/h6-9,12-13,15-16,18,31H,4-5,10-11,14H2,1-3H3/t16-,18+/m0/s1
• InChIKey: ACSKVTJXXLMOAP-FUHWJXTLSA-N
• XLogP: 4.36
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.61
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

The IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (CID 67195872) is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

What is the SMILES notation for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

The canonical SMILES for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is COCCN(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)S(=O)(=O)c1cn(C)nc1C(F)(F)F.

What is the InChIKey of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

The InChIKey is ACSKVTJXXLMOAP-FUHWJXTLSA-N. The full InChI is InChI=1S/C26H29F4N5O3S/c1-16-21-13-31-35(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(24(16)17)14-34(10-11-38-3)39(36,37)23-15-33(2)32-25(23)26(28,29)30/h6-9,12-13,15-16,18,31H,4-5,10-11,14H2,1-3H3/t16-,18+/m0/s1.

What are the key properties of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 567.61 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 67195872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).