1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole

C100H119FN20O10S5 — CID 159312933

IUPAC1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC(C)(C)S(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(C)(=O)=O.CS(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.O=S(=O)(C1CCCCC1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H23FN4O2S.C22H28N4O2S.C20H26N4O2S.C18H22N4O2S.C17H20N4O2S/c24-21-2-4-22(5-3-21)31(29,30)28-11-7-17(8-12-28)16-27-10-9-19-13-18(1-6-23(19)27)20-14-25-26-15-20;27-29(28,21-4-2-1-3-5-21)26-11-8-17(16-26)15-25-10-9-19-12-18(6-7-22(19)25)20-13-23-24-14-20;1-20(2,3)27(25,26)24-9-6-15(14-24)13-23-8-7-17-10-16(4-5-19(17)23)18-11-21-22-12-18;1-13-7-14(12-22(13)25(2,23)24)11-21-6-5-16-8-15(3-4-18(16)21)17-9-19-20-10-17;1-24(22,23)21-7-4-13(12-21)11-20-6-5-15-8-14(2-3-17(15)20)16-9-18-19-10-16/h1-6,9-10,13-15,17H,7-8,11-12,16H2,(H,25,26);6-7,9-10,12-14,17,21H,1-5,8,11,15-16H2,(H,23,24);4-5,7-8,10-12,15H,6,9,13-14H2,1-3H3,(H,21,22);3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,19,20);2-3,5-6,8-10,13H,4,7,11-12H2,1H3,(H,18,19)
InChIKeyLCTXEVYCSXYUKH-UHFFFAOYSA-N
MW1940.51 g/mol
LogP16.78
Rot. Bonds22

About 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole

1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 159312933) has the molecular formula C100H119FN20O10S5 and a molecular weight of 1940.51 g/mol. Its IUPAC name is 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID159312933
Molecular FormulaC100H119FN20O10S5
Molecular Weight1940.51 g/mol
Exact Mass1938.80
IUPAC Name1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC(C)(C)S(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(C)(=O)=O.CS(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.O=S(=O)(C1CCCCC1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H23FN4O2S.C22H28N4O2S.C20H26N4O2S.C18H22N4O2S.C17H20N4O2S/c24-21-2-4-22(5-3-21)31(29,30)28-11-7-17(8-12-28)16-27-10-9-19-13-18(1-6-23(19)27)20-14-25-26-15-20;27-29(28,21-4-2-1-3-5-21)26-11-8-17(16-26)15-25-10-9-19-12-18(6-7-22(19)25)20-13-23-24-14-20;1-20(2,3)27(25,26)24-9-6-15(14-24)13-23-8-7-17-10-16(4-5-19(17)23)18-11-21-22-12-18;1-13-7-14(12-22(13)25(2,23)24)11-21-6-5-16-8-15(3-4-18(16)21)17-9-19-20-10-17;1-24(22,23)21-7-4-13(12-21)11-20-6-5-15-8-14(2-3-17(15)20)16-9-18-19-10-16/h1-6,9-10,13-15,17H,7-8,11-12,16H2,(H,25,26);6-7,9-10,12-14,17,21H,1-5,8,11,15-16H2,(H,23,24);4-5,7-8,10-12,15H,6,9,13-14H2,1-3H3,(H,21,22);3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,19,20);2-3,5-6,8-10,13H,4,7,11-12H2,1H3,(H,18,19)
InChIKeyLCTXEVYCSXYUKH-UHFFFAOYSA-N
XLogP16.78
TPSA354.95 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.51
LogP ≤ 516.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[[(3S,5R)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678041
1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678043
1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678050
1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678055
1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678063
1-[[(3S,5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678068
1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678072
1-[[(3S,5R)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678075
1-[[(3S,5R)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678080
1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678089

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole (CID 159312933) is 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole is CC(C)(C)S(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(C)(=O)=O.CS(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.O=S(=O)(C1CCCCC1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1.O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is LCTXEVYCSXYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S.C22H28N4O2S.C20H26N4O2S.C18H22N4O2S.C17H20N4O2S/c24-21-2-4-22(5-3-21)31(29,30)28-11-7-17(8-12-28)16-27-10-9-19-13-18(1-6-23(19)27)20-14-25-26-15-20;27-29(28,21-4-2-1-3-5-21)26-11-8-17(16-26)15-25-10-9-19-12-18(6-7-22(19)25)20-13-23-24-14-20;1-20(2,3)27(25,26)24-9-6-15(14-24)13-23-8-7-17-10-16(4-5-19(17)23)18-11-21-22-12-18;1-13-7-14(12-22(13)25(2,23)24)11-21-6-5-16-8-15(3-4-18(16)21)17-9-19-20-10-17;1-24(22,23)21-7-4-13(12-21)11-20-6-5-15-8-14(2-3-17(15)20)16-9-18-19-10-16/h1-6,9-10,13-15,17H,7-8,11-12,16H2,(H,25,26);6-7,9-10,12-14,17,21H,1-5,8,11,15-16H2,(H,23,24);4-5,7-8,10-12,15H,6,9,13-14H2,1-3H3,(H,21,22);3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,19,20);2-3,5-6,8-10,13H,4,7,11-12H2,1H3,(H,18,19).
What are the key properties of 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 1940.51 g/mol, XLogP of 16.78, 22 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 159312933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).