benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide

C111H119F4N15O11S2 — CID 157361247

About benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide

benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 157361247) has the molecular formula C111H119F4N15O11S2 and a molecular weight of 1979.39 g/mol. Its IUPAC name is benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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: benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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: 157361247
• Molecular Formula: C111H119F4N15O11S2
• Molecular Weight: 1979.39 g/mol
• Exact Mass: 1977.86
• IUPAC Name: benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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: CC(=O)N1CCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)CC1.CS(=O)(=O)CCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=C(OCc1ccccc1)N1CCC(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/C34H35FN4O3.C28H31FN4O2.C26H29FN4O3S.C23H24FN3O3S/c35-27-6-8-28(9-7-27)39-32-19-26-21-36-37-31(26)20-29(32)30(33(39)25-12-16-41-17-13-25)18-23-10-14-38(15-11-23)34(40)42-22-24-4-2-1-3-5-24;1-18(34)32-10-6-19(7-11-32)14-25-24-16-26-21(17-30-31-26)15-27(24)33(23-4-2-22(29)3-5-23)28(25)20-8-12-35-13-9-20;27-20-4-6-21(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;1-31(28,29)11-8-19-20-13-21-16(14-25-26-21)12-22(20)27(18-4-2-17(24)3-5-18)23(19)15-6-9-30-10-7-15/h1-9,19-21,23,25H,10-18,22H2,(H,36,37);2-5,15-17,19-20H,6-14H2,1H3,(H,30,31);4-7,15-18H,1-3,8-14H2,(H,28,29);2-5,12-15H,6-11H2,1H3,(H,25,26)
• InChIKey: BIQXXAXMSAESTM-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 292.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.39
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 157361247) is benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 CC(=O)N1CCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)CC1.CS(=O)(=O)CCc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=C(OCc1ccccc1)N1CCC(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 benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 BIQXXAXMSAESTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN4O3.C28H31FN4O2.C26H29FN4O3S.C23H24FN3O3S/c35-27-6-8-28(9-7-27)39-32-19-26-21-36-37-31(26)20-29(32)30(33(39)25-12-16-41-17-13-25)18-23-10-14-38(15-11-23)34(40)42-22-24-4-2-1-3-5-24;1-18(34)32-10-6-19(7-11-32)14-25-24-16-26-21(17-30-31-26)15-27(24)33(23-4-2-22(29)3-5-23)28(25)20-8-12-35-13-9-20;27-20-4-6-21(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;1-31(28,29)11-8-19-20-13-21-16(14-25-26-21)12-22(20)27(18-4-2-17(24)3-5-18)23(19)15-6-9-30-10-7-15/h1-9,19-21,23,25H,10-18,22H2,(H,36,37);2-5,15-17,19-20H,6-14H2,1H3,(H,30,31);4-7,15-18H,1-3,8-14H2,(H,28,29);2-5,12-15H,6-11H2,1H3,(H,25,26).

What are the key properties of benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide?

benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 1979.39 g/mol, XLogP of 21.11, 21 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;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 157361247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).