1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole

C113H122F3N21O10S5 — CID 159364559

IUPAC1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
SMILESO=S(=O)(CC(F)(F)F)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C25H28N4O2S.C24H26N4O2S.C23H24N4O2S.C22H23N5O2S.C19H21F3N4O2S/c30-32(31,15-11-20-4-2-1-3-5-20)29-13-8-21(9-14-29)19-28-12-10-23-16-22(6-7-25(23)28)24-17-26-27-18-24;29-31(30,18-20-4-2-1-3-5-20)28-12-8-19(9-13-28)17-27-11-10-22-14-21(6-7-24(22)27)23-15-25-26-16-23;28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21;28-30(29,22-3-1-2-9-23-22)27-11-6-17(7-12-27)16-26-10-8-19-13-18(4-5-21(19)26)20-14-24-25-15-20;20-19(21,22)13-29(27,28)26-7-3-14(4-8-26)12-25-6-5-16-9-15(1-2-18(16)25)17-10-23-24-11-17/h1-7,10,12,16-18,21H,8-9,11,13-15,19H2,(H,26,27);1-7,10-11,14-16,19H,8-9,12-13,17-18H2,(H,25,26);1-7,10-11,14-16,18H,8-9,12-13,17H2,(H,24,25);1-5,8-10,13-15,17H,6-7,11-12,16H2,(H,24,25);1-2,5-6,9-11,14H,3-4,7-8,12-13H2,(H,23,24)
InChIKeyLIYQPBPDPAAHMQ-UHFFFAOYSA-N
MW2151.68 g/mol
LogP19.88
Rot. Bonds28

About 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole (PubChem CID 159364559) has the molecular formula C113H122F3N21O10S5 and a molecular weight of 2151.68 g/mol. Its IUPAC name is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole.

Molecular Properties

Compound Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
PubChem CID159364559
Molecular FormulaC113H122F3N21O10S5
Molecular Weight2151.68 g/mol
Exact Mass2149.82
IUPAC Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
SMILESO=S(=O)(CC(F)(F)F)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C25H28N4O2S.C24H26N4O2S.C23H24N4O2S.C22H23N5O2S.C19H21F3N4O2S/c30-32(31,15-11-20-4-2-1-3-5-20)29-13-8-21(9-14-29)19-28-12-10-23-16-22(6-7-25(23)28)24-17-26-27-18-24;29-31(30,18-20-4-2-1-3-5-20)28-12-8-19(9-13-28)17-27-11-10-22-14-21(6-7-24(22)27)23-15-25-26-16-23;28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21;28-30(29,22-3-1-2-9-23-22)27-11-6-17(7-12-27)16-26-10-8-19-13-18(4-5-21(19)26)20-14-24-25-15-20;20-19(21,22)13-29(27,28)26-7-3-14(4-8-26)12-25-6-5-16-9-15(1-2-18(16)25)17-10-23-24-11-17/h1-7,10,12,16-18,21H,8-9,11,13-15,19H2,(H,26,27);1-7,10-11,14-16,19H,8-9,12-13,17-18H2,(H,25,26);1-7,10-11,14-16,18H,8-9,12-13,17H2,(H,24,25);1-5,8-10,13-15,17H,6-7,11-12,16H2,(H,24,25);1-2,5-6,9-11,14H,3-4,7-8,12-13H2,(H,23,24)
InChIKeyLIYQPBPDPAAHMQ-UHFFFAOYSA-N
XLogP19.88
TPSA367.84 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002151.68
LogP ≤ 519.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole with MolForge

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Related Compounds

1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678083
1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683181
1-[[(3S,5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678032
1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683173
1-[[1-[(4-fluorophenyl)methylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683133
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
CID 118678040
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
CID 118682973
5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
CID 118674487
1-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 118354805
1-[(2S,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 118354823
1-[[5,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683163
1-[(1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 118678018

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole?
The IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole (CID 159364559) is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole.
What is the SMILES notation for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole?
The canonical SMILES for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole is O=S(=O)(CC(F)(F)F)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole?
The InChIKey is LIYQPBPDPAAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S.C24H26N4O2S.C23H24N4O2S.C22H23N5O2S.C19H21F3N4O2S/c30-32(31,15-11-20-4-2-1-3-5-20)29-13-8-21(9-14-29)19-28-12-10-23-16-22(6-7-25(23)28)24-17-26-27-18-24;29-31(30,18-20-4-2-1-3-5-20)28-12-8-19(9-13-28)17-27-11-10-22-14-21(6-7-24(22)27)23-15-25-26-16-23;28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21;28-30(29,22-3-1-2-9-23-22)27-11-6-17(7-12-27)16-26-10-8-19-13-18(4-5-21(19)26)20-14-24-25-15-20;20-19(21,22)13-29(27,28)26-7-3-14(4-8-26)12-25-6-5-16-9-15(1-2-18(16)25)17-10-23-24-11-17/h1-7,10,12,16-18,21H,8-9,11,13-15,19H2,(H,26,27);1-7,10-11,14-16,19H,8-9,12-13,17-18H2,(H,25,26);1-7,10-11,14-16,18H,8-9,12-13,17H2,(H,24,25);1-5,8-10,13-15,17H,6-7,11-12,16H2,(H,24,25);1-2,5-6,9-11,14H,3-4,7-8,12-13H2,(H,23,24).
What are the key properties of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole?
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole has a molecular weight of 2151.68 g/mol, XLogP of 19.88, 28 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole is sourced from PubChem (CID 159364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).