5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile

C96H96F4N14O7S — CID 158799154

About 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile

5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile (PubChem CID 158799154) has the molecular formula C96H96F4N14O7S and a molecular weight of 1665.97 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile
• PubChem CID: 158799154
• Molecular Formula: C96H96F4N14O7S
• Molecular Weight: 1665.97 g/mol
• Exact Mass: 1664.72
• IUPAC Name: 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile
• SMILES: COCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.N#CCCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.N#CCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=S1(=O)CCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)CC1
• InChI: InChI=1S/C26H28FN3O3S.C24H23FN4O.C23H21FN4O.C23H24FN3O2/c27-20-1-3-21(4-2-20)30-25-14-19-16-28-29-24(19)15-22(25)23(26(30)18-5-9-33-10-6-18)13-17-7-11-34(31,32)12-8-17;25-18-4-6-19(7-5-18)29-23-13-17-15-27-28-22(17)14-21(23)20(3-1-2-10-26)24(29)16-8-11-30-12-9-16;24-17-3-5-18(6-4-17)28-22-12-16-14-26-27-21(16)13-20(22)19(2-1-9-25)23(28)15-7-10-29-11-8-15;1-28-9-8-19-20-13-21-16(14-25-26-21)12-22(20)27(18-4-2-17(24)3-5-18)23(19)15-6-10-29-11-7-15/h1-4,14-18H,5-13H2,(H,28,29);4-7,13-16H,1-3,8-9,11-12H2,(H,27,28);3-6,12-15H,1-2,7-8,10-11H2,(H,26,27);2-5,12-15H,6-11H2,1H3,(H,25,26)
• InChIKey: ITGIFHJJGXSMRW-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 262.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.97
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile?

The IUPAC name of 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile (CID 158799154) is 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile.

What is the SMILES notation for 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile?

The canonical SMILES for 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile is COCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.N#CCCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.N#CCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=S1(=O)CCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)CC1.

What is the InChIKey of 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile?

The InChIKey is ITGIFHJJGXSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3S.C24H23FN4O.C23H21FN4O.C23H24FN3O2/c27-20-1-3-21(4-2-20)30-25-14-19-16-28-29-24(19)15-22(25)23(26(30)18-5-9-33-10-6-18)13-17-7-11-34(31,32)12-8-17;25-18-4-6-19(7-5-18)29-23-13-17-15-27-28-22(17)14-21(23)20(3-1-2-10-26)24(29)16-8-11-30-12-9-16;24-17-3-5-18(6-4-17)28-22-12-16-14-26-27-21(16)13-20(22)19(2-1-9-25)23(28)15-7-10-29-11-8-15;1-28-9-8-19-20-13-21-16(14-25-26-21)12-22(20)27(18-4-2-17(24)3-5-18)23(19)15-6-10-29-11-7-15/h1-4,14-18H,5-13H2,(H,28,29);4-7,13-16H,1-3,8-9,11-12H2,(H,27,28);3-6,12-15H,1-2,7-8,10-11H2,(H,26,27);2-5,12-15H,6-11H2,1H3,(H,25,26).

What are the key properties of 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile?

5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile has a molecular weight of 1665.97 g/mol, XLogP of 20.02, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]butanenitrile;4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]thiane 1,1-dioxide;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanenitrile is sourced from PubChem (CID 158799154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).