5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole

C34H24F9N3O3S — CID 118209385

About 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole

5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole (PubChem CID 118209385) has the molecular formula C34H24F9N3O3S and a molecular weight of 725.63 g/mol. Its IUPAC name is 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole.

Molecular Properties

• Compound Name: 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole
• PubChem CID: 118209385
• Molecular Formula: C34H24F9N3O3S
• Molecular Weight: 725.63 g/mol
• Exact Mass: 725.14
• IUPAC Name: 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole
• SMILES: O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCc2c(cnn2-c2ccncc2)C1
• InChI: InChI=1S/C34H24F9N3O3S/c35-24-8-10-26(11-9-24)50(47,48)31(15-12-30-21(18-31)19-45-46(30)25-13-16-44-17-14-25)22-4-6-23(7-5-22)32(33(38,39)40,34(41,42)43)49-20-27-28(36)2-1-3-29(27)37/h1-11,13-14,16-17,19H,12,15,18,20H2
• InChIKey: WVKUNTPCQXMGED-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 74.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.63
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole?

The IUPAC name of 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole (CID 118209385) is 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole.

What is the SMILES notation for 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole?

The canonical SMILES for 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCc2c(cnn2-c2ccncc2)C1.

What is the InChIKey of 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole?

The InChIKey is WVKUNTPCQXMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F9N3O3S/c35-24-8-10-26(11-9-24)50(47,48)31(15-12-30-21(18-31)19-45-46(30)25-13-16-44-17-14-25)22-4-6-23(7-5-22)32(33(38,39)40,34(41,42)43)49-20-27-28(36)2-1-3-29(27)37/h1-11,13-14,16-17,19H,12,15,18,20H2.

What are the key properties of 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole?

5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole has a molecular weight of 725.63 g/mol, XLogP of 8.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5-(4-fluorophenyl)sulfonyl-1-pyridin-4-yl-6,7-dihydro-4H-indazole is sourced from PubChem (CID 118209385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).