1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

C93H102F2N16O8S4 — CID 158543872

IUPAC1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCC1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1ccc(F)cc1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1cccc(F)c1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/2C24H25FN4O2S.C24H26N4O2S.C21H26N4O2S/c1-17-10-19(15-29(17)32(30,31)16-18-2-5-23(25)6-3-18)14-28-9-8-21-11-20(4-7-24(21)28)22-12-26-27-13-22;1-17-9-19(15-29(17)32(30,31)16-18-3-2-4-23(25)10-18)14-28-8-7-21-11-20(5-6-24(21)28)22-12-26-27-13-22;1-18-11-20(16-28(18)31(29,30)17-19-5-3-2-4-6-19)15-27-10-9-22-12-21(7-8-24(22)27)23-13-25-26-14-23;1-15-9-16(14-25(15)28(26,27)20-3-2-4-20)13-24-8-7-18-10-17(5-6-21(18)24)19-11-22-23-12-19/h2-9,11-13,17,19H,10,14-16H2,1H3,(H,26,27);2-8,10-13,17,19H,9,14-16H2,1H3,(H,26,27);2-10,12-14,18,20H,11,15-17H2,1H3,(H,25,26);5-8,10-12,15-16,20H,2-4,9,13-14H2,1H3,(H,22,23)
InChIKeyHOWCHOJTXLZJNQ-UHFFFAOYSA-N
MW1738.21 g/mol
LogP16.72
Rot. Bonds23

About 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 158543872) has the molecular formula C93H102F2N16O8S4 and a molecular weight of 1738.21 g/mol. Its IUPAC name is 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID158543872
Molecular FormulaC93H102F2N16O8S4
Molecular Weight1738.21 g/mol
Exact Mass1736.69
IUPAC Name1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCC1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1ccc(F)cc1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1cccc(F)c1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/2C24H25FN4O2S.C24H26N4O2S.C21H26N4O2S/c1-17-10-19(15-29(17)32(30,31)16-18-2-5-23(25)6-3-18)14-28-9-8-21-11-20(4-7-24(21)28)22-12-26-27-13-22;1-17-9-19(15-29(17)32(30,31)16-18-3-2-4-23(25)10-18)14-28-8-7-21-11-20(5-6-24(21)28)22-12-26-27-13-22;1-18-11-20(16-28(18)31(29,30)17-19-5-3-2-4-6-19)15-27-10-9-22-12-21(7-8-24(22)27)23-13-25-26-14-23;1-15-9-16(14-25(15)28(26,27)20-3-2-4-20)13-24-8-7-18-10-17(5-6-21(18)24)19-11-22-23-12-19/h2-9,11-13,17,19H,10,14-16H2,1H3,(H,26,27);2-8,10-13,17,19H,9,14-16H2,1H3,(H,26,27);2-10,12-14,18,20H,11,15-17H2,1H3,(H,25,26);5-8,10-12,15-16,20H,2-4,9,13-14H2,1H3,(H,22,23)
InChIKeyHOWCHOJTXLZJNQ-UHFFFAOYSA-N
XLogP16.72
TPSA283.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.21
LogP ≤ 516.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole with MolForge

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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)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
1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678092
1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678093

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (CID 158543872) is 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCC1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1ccc(F)cc1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1cccc(F)c1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is HOWCHOJTXLZJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25FN4O2S.C24H26N4O2S.C21H26N4O2S/c1-17-10-19(15-29(17)32(30,31)16-18-2-5-23(25)6-3-18)14-28-9-8-21-11-20(4-7-24(21)28)22-12-26-27-13-22;1-17-9-19(15-29(17)32(30,31)16-18-3-2-4-23(25)10-18)14-28-8-7-21-11-20(5-6-24(21)28)22-12-26-27-13-22;1-18-11-20(16-28(18)31(29,30)17-19-5-3-2-4-6-19)15-27-10-9-22-12-21(7-8-24(22)27)23-13-25-26-14-23;1-15-9-16(14-25(15)28(26,27)20-3-2-4-20)13-24-8-7-18-10-17(5-6-21(18)24)19-11-22-23-12-19/h2-9,11-13,17,19H,10,14-16H2,1H3,(H,26,27);2-8,10-13,17,19H,9,14-16H2,1H3,(H,26,27);2-10,12-14,18,20H,11,15-17H2,1H3,(H,25,26);5-8,10-12,15-16,20H,2-4,9,13-14H2,1H3,(H,22,23).
What are the key properties of 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 1738.21 g/mol, XLogP of 16.72, 23 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclobutylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 158543872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).