7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid

C84H79F4N13O4S — CID 158920809

About 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid

7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid (PubChem CID 158920809) has the molecular formula C84H79F4N13O4S and a molecular weight of 1442.70 g/mol. Its IUPAC name is 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 158920809
• Molecular Formula: C84H79F4N13O4S
• Molecular Weight: 1442.70 g/mol
• Exact Mass: 1441.60
• IUPAC Name: 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid
• SMILES: C=Cc1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3cn[nH]c3cc12.Cc1cc(-n2c(C(C)C)c(C#N)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(C3CC3C(=O)O)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(S(C)(=O)=O)c3cc4[nH]ncc4cc32)ccc1F
• InChI: InChI=1S/C23H22FN3O2.C21H20FN3.C20H17FN4.C20H20FN3O2S/c1-11(2)22-21(15-8-16(15)23(28)29)17-9-19-13(10-25-26-19)7-20(17)27(22)14-4-5-18(24)12(3)6-14;1-5-16-17-10-19-14(11-23-24-19)9-20(17)25(21(16)12(2)3)15-6-7-18(22)13(4)8-15;1-11(2)20-16(9-22)15-8-18-13(10-23-24-18)7-19(15)25(20)14-4-5-17(21)12(3)6-14;1-11(2)19-20(27(4,25)26)15-9-17-13(10-22-23-17)8-18(15)24(19)14-5-6-16(21)12(3)7-14/h4-7,9-11,15-16H,8H2,1-3H3,(H,25,26)(H,28,29);5-12H,1H2,2-4H3,(H,23,24);4-8,10-11H,1-3H3,(H,23,24);5-11H,1-4H3,(H,22,23)
• InChIKey: JHUQEJFMADSSSB-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 229.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.70
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid?

The IUPAC name of 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid (CID 158920809) is 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid is C=Cc1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3cn[nH]c3cc12.Cc1cc(-n2c(C(C)C)c(C#N)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(C3CC3C(=O)O)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(S(C)(=O)=O)c3cc4[nH]ncc4cc32)ccc1F.

What is the InChIKey of 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid?

The InChIKey is JHUQEJFMADSSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2.C21H20FN3.C20H17FN4.C20H20FN3O2S/c1-11(2)22-21(15-8-16(15)23(28)29)17-9-19-13(10-25-26-19)7-20(17)27(22)14-4-5-18(24)12(3)6-14;1-5-16-17-10-19-14(11-23-24-19)9-20(17)25(21(16)12(2)3)15-6-7-18(22)13(4)8-15;1-11(2)20-16(9-22)15-8-18-13(10-23-24-18)7-19(15)25(20)14-4-5-17(21)12(3)6-14;1-11(2)19-20(27(4,25)26)15-9-17-13(10-22-23-17)8-18(15)24(19)14-5-6-16(21)12(3)7-14/h4-7,9-11,15-16H,8H2,1-3H3,(H,25,26)(H,28,29);5-12H,1H2,2-4H3,(H,23,24);4-8,10-11H,1-3H3,(H,23,24);5-11H,1-4H3,(H,22,23).

What are the key properties of 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid?

7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid has a molecular weight of 1442.70 g/mol, XLogP of 20.42, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158920809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).