benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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

C119H125F4N15O11S — CID 157302843

About benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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

benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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 (PubChem CID 157302843) has the molecular formula C119H125F4N15O11S and a molecular weight of 2049.46 g/mol. Its IUPAC name is benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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.

Molecular Properties

• Compound Name: benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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
• PubChem CID: 157302843
• Molecular Formula: C119H125F4N15O11S
• Molecular Weight: 2049.46 g/mol
• Exact Mass: 2047.93
• IUPAC Name: benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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
• 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=C(OCc1ccccc1)N1CCCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)C1
• InChI: InChI=1S/2C34H35FN4O3.C28H31FN4O2.C23H24FN3O3S/c35-27-8-10-28(11-9-27)39-32-18-26-20-36-37-31(26)19-29(32)30(33(39)25-12-15-41-16-13-25)17-24-7-4-14-38(21-24)34(40)42-22-23-5-2-1-3-6-23;35-27-6-8-28(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;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/h1-3,5-6,8-11,18-20,24-25H,4,7,12-17,21-22H2,(H,36,37);1-9,19-21,23,25H,10-18,22H2,(H,36,37);2-5,15-17,19-20H,6-14H2,1H3,(H,30,31);2-5,12-15H,6-11H2,1H3,(H,25,26)
• InChIKey: BCCISOXXKQRACN-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 284.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2049.46
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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?

The IUPAC name of benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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 (CID 157302843) is benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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.

What is the SMILES notation for benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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?

The canonical SMILES for benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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 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=C(OCc1ccccc1)N1CCCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)C1.

What is the InChIKey of benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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?

The InChIKey is BCCISOXXKQRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H35FN4O3.C28H31FN4O2.C23H24FN3O3S/c35-27-8-10-28(11-9-27)39-32-18-26-20-36-37-31(26)19-29(32)30(33(39)25-12-15-41-16-13-25)17-24-7-4-14-38(21-24)34(40)42-22-23-5-2-1-3-6-23;35-27-6-8-28(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;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/h1-3,5-6,8-11,18-20,24-25H,4,7,12-17,21-22H2,(H,36,37);1-9,19-21,23,25H,10-18,22H2,(H,36,37);2-5,15-17,19-20H,6-14H2,1H3,(H,30,31);2-5,12-15H,6-11H2,1H3,(H,25,26).

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

benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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 has a molecular weight of 2049.46 g/mol, XLogP of 23.73, 21 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;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 is sourced from PubChem (CID 157302843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).