1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

C92H93F3N16O8S4 — CID 158913327

IUPAC1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESC[C@@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/3C23H23FN4O2S.C23H24N4O2S/c1-16-10-17(15-28(16)31(29,30)22-5-3-21(24)4-6-22)14-27-9-8-19-11-18(2-7-23(19)27)20-12-25-26-13-20;2*1-16-9-17(15-28(16)31(29,30)22-4-2-3-21(24)11-22)14-27-8-7-19-10-18(5-6-23(19)27)20-12-25-26-13-20;1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-9,11-13,16-17H,10,14-15H2,1H3,(H,25,26);2*2-8,10-13,16-17H,9,14-15H2,1H3,(H,25,26);2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t3*16-,17?;17-,18?/m1100/s1
InChIKeyJGXPRXMMIWRYKH-INZZDBGUSA-N
MW1736.12 g/mol
LogP16.94
Rot. Bonds20

About 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 158913327) has the molecular formula C92H93F3N16O8S4 and a molecular weight of 1736.12 g/mol. Its IUPAC name is 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID158913327
Molecular FormulaC92H93F3N16O8S4
Molecular Weight1736.12 g/mol
Exact Mass1734.62
IUPAC Name1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESC[C@@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/3C23H23FN4O2S.C23H24N4O2S/c1-16-10-17(15-28(16)31(29,30)22-5-3-21(24)4-6-22)14-27-9-8-19-11-18(2-7-23(19)27)20-12-25-26-13-20;2*1-16-9-17(15-28(16)31(29,30)22-4-2-3-21(24)11-22)14-27-8-7-19-10-18(5-6-23(19)27)20-12-25-26-13-20;1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-9,11-13,16-17H,10,14-15H2,1H3,(H,25,26);2*2-8,10-13,16-17H,9,14-15H2,1H3,(H,25,26);2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t3*16-,17?;17-,18?/m1100/s1
InChIKeyJGXPRXMMIWRYKH-INZZDBGUSA-N
XLogP16.94
TPSA283.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.12
LogP ≤ 516.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole with MolForge

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Related Compounds

5-(6-fluoro-1-(phenylsulfonyl)-1H-indol-3-yl)-1H-indazole
CID 118382638
1-[[(3S,5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674440
1-[[(3S,5R)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674502
1-[[(3S,5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674514
1-[[(3S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674521
1-[[(3S,5R)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674522
1-[[(3S,5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674531
1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674541
1-[[(3S,5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674548
1-[[(3S,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674551
1-[[(3S,5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678024
1-[[1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678037

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (CID 158913327) is 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is C[C@@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is JGXPRXMMIWRYKH-INZZDBGUSA-N. The full InChI is InChI=1S/3C23H23FN4O2S.C23H24N4O2S/c1-16-10-17(15-28(16)31(29,30)22-5-3-21(24)4-6-22)14-27-9-8-19-11-18(2-7-23(19)27)20-12-25-26-13-20;2*1-16-9-17(15-28(16)31(29,30)22-4-2-3-21(24)11-22)14-27-8-7-19-10-18(5-6-23(19)27)20-12-25-26-13-20;1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-9,11-13,16-17H,10,14-15H2,1H3,(H,25,26);2*2-8,10-13,16-17H,9,14-15H2,1H3,(H,25,26);2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t3*16-,17?;17-,18?/m1100/s1.
What are the key properties of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 1736.12 g/mol, XLogP of 16.94, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[(5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 158913327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).