5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid

C84H78F4N12O8S — CID 161056061

About 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid

5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid (PubChem CID 161056061) has the molecular formula C84H78F4N12O8S and a molecular weight of 1491.68 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid
• PubChem CID: 161056061
• Molecular Formula: C84H78F4N12O8S
• Molecular Weight: 1491.68 g/mol
• Exact Mass: 1490.57
• IUPAC Name: 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid
• SMILES: CC(C)c1c(/C=C/C(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(CC2(C(=O)O)CC2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(S(C)(=O)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
• InChI: InChI=1S/C23H22FN3O2.C21H20FN3O2.C21H18FN3O2.C19H18FN3O2S/c1-13(2)21-18(11-23(7-8-23)22(28)29)17-10-19-14(12-25-26-19)9-20(17)27(21)16-5-3-15(24)4-6-16;2*1-12(2)21-16(7-8-20(26)27)17-10-18-13(11-23-24-18)9-19(17)25(21)15-5-3-14(22)4-6-15;1-11(2)18-19(26(3,24)25)15-9-16-12(10-21-22-16)8-17(15)23(18)14-6-4-13(20)5-7-14/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,25,26)(H,28,29);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27);3-12H,1-2H3,(H,23,24)(H,26,27);4-11H,1-3H3,(H,21,22)/b;;8-7+
• InChIKey: UCTNQYOZHGCCFP-ZJMGZQSDSA-N
• XLogP: 19.00
• TPSA: 280.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1491.68
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid?

The IUPAC name of 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid (CID 161056061) is 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid.

What is the SMILES notation for 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid?

The canonical SMILES for 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid is CC(C)c1c(/C=C/C(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(CC2(C(=O)O)CC2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(S(C)(=O)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.

What is the InChIKey of 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid?

The InChIKey is UCTNQYOZHGCCFP-ZJMGZQSDSA-N. The full InChI is InChI=1S/C23H22FN3O2.C21H20FN3O2.C21H18FN3O2.C19H18FN3O2S/c1-13(2)21-18(11-23(7-8-23)22(28)29)17-10-19-14(12-25-26-19)9-20(17)27(21)16-5-3-15(24)4-6-16;2*1-12(2)21-16(7-8-20(26)27)17-10-18-13(11-23-24-18)9-19(17)25(21)15-5-3-14(22)4-6-15;1-11(2)18-19(26(3,24)25)15-9-16-12(10-21-22-16)8-17(15)23(18)14-6-4-13(20)5-7-14/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,25,26)(H,28,29);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27);3-12H,1-2H3,(H,23,24)(H,26,27);4-11H,1-3H3,(H,21,22)/b;;8-7+;.

What are the key properties of 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid?

5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid has a molecular weight of 1491.68 g/mol, XLogP of 19.00, 17 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid is sourced from PubChem (CID 161056061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).