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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide

C99H104F4N14O9S2 — CID 159427549

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 159427549) has the molecular formula C99H104F4N14O9S2 and a molecular weight of 1774.14 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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide.

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide
• PubChem CID: 159427549
• Molecular Formula: C99H104F4N14O9S2
• Molecular Weight: 1774.14 g/mol
• Exact Mass: 1772.75
• 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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide
• SMILES: COCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.N#CCCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=S1(=O)CCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)CC1.O=S1(=O)CCCN1CCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12
• InChI: InChI=1S/C26H29FN4O3S.C26H28FN3O3S.C24H23FN4O.C23H24FN3O2/c27-20-4-6-21(7-5-20)31-25-15-19-17-28-29-24(19)16-23(25)22(26(31)18-8-12-34-13-9-18)3-1-10-30-11-2-14-35(30,32)33;27-20-1-3-21(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;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/h4-7,15-18H,1-3,8-14H2,(H,28,29);1-4,14-18H,5-13H2,(H,28,29);4-7,13-16H,1-3,8-9,11-12H2,(H,27,28);2-5,12-15H,6-11H2,1H3,(H,25,26)
• InChIKey: LQODIYPKTWIIKK-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 275.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.14
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide?

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide (CID 159427549) 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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide.

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide?

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide is COCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.N#CCCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=S1(=O)CCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)CC1.O=S1(=O)CCCN1CCCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide?

The InChIKey is LQODIYPKTWIIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3S.C26H28FN3O3S.C24H23FN4O.C23H24FN3O2/c27-20-4-6-21(7-5-20)31-25-15-19-17-28-29-24(19)16-23(25)22(26(31)18-8-12-34-13-9-18)3-1-10-30-11-2-14-35(30,32)33;27-20-1-3-21(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;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/h4-7,15-18H,1-3,8-14H2,(H,28,29);1-4,14-18H,5-13H2,(H,28,29);4-7,13-16H,1-3,8-9,11-12H2,(H,27,28);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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide?

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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 1774.14 g/mol, XLogP of 19.53, 20 rotatable bonds, 4 hydrogen bond donors, and 18 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;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 159427549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).