2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide

C68H92ClN15O10S5 — CID 160808884

IUPAC2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CC(=O)Nc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CN(c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1)S(C)(=O)=O.Clc1cc(N2CCC(c3nccs3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C18H26N4O3S.C17H26N4O4S2.C17H24N4O3S.C16H16ClN3S/c1-13(23)20(4)14-10-16-15(6-7-19-16)17(11-14)21-8-9-22(26(5,24)25)18(2,3)12-21;1-17(2)12-20(8-9-21(17)27(5,24)25)16-11-13(19(3)26(4,22)23)10-15-14(16)6-7-18-15;1-12(22)19-13-9-15-14(5-6-18-15)16(10-13)20-7-8-21(25(4,23)24)17(2,3)11-20;17-12-9-14-13(1-4-18-14)15(10-12)20-6-2-11(3-7-20)16-19-5-8-21-16/h6-7,10-11,19H,8-9,12H2,1-5H3;6-7,10-11,18H,8-9,12H2,1-5H3;5-6,9-10,18H,7-8,11H2,1-4H3,(H,19,22);1,4-5,8-11,18H,2-3,6-7H2
InChIKeySEBCARFEWFTJOC-UHFFFAOYSA-N
MW1475.37 g/mol
LogP10.08
Rot. Bonds12

About 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide

2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide (PubChem CID 160808884) has the molecular formula C68H92ClN15O10S5 and a molecular weight of 1475.37 g/mol. Its IUPAC name is 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide
PubChem CID160808884
Molecular FormulaC68H92ClN15O10S5
Molecular Weight1475.37 g/mol
Exact Mass1473.54
IUPAC Name2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CC(=O)Nc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CN(c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1)S(C)(=O)=O.Clc1cc(N2CCC(c3nccs3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C18H26N4O3S.C17H26N4O4S2.C17H24N4O3S.C16H16ClN3S/c1-13(23)20(4)14-10-16-15(6-7-19-16)17(11-14)21-8-9-22(26(5,24)25)18(2,3)12-21;1-17(2)12-20(8-9-21(17)27(5,24)25)16-11-13(19(3)26(4,22)23)10-15-14(16)6-7-18-15;1-12(22)19-13-9-15-14(5-6-18-15)16(10-13)20-7-8-21(25(4,23)24)17(2,3)11-20;17-12-9-14-13(1-4-18-14)15(10-12)20-6-2-11(3-7-20)16-19-5-8-21-16/h6-7,10-11,19H,8-9,12H2,1-5H3;6-7,10-11,18H,8-9,12H2,1-5H3;5-6,9-10,18H,7-8,11H2,1-4H3,(H,19,22);1,4-5,8-11,18H,2-3,6-7H2
InChIKeySEBCARFEWFTJOC-UHFFFAOYSA-N
XLogP10.08
TPSA287.94 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001475.37
LogP ≤ 510.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

1-[4-(6-chloro-1H-indol-4-yl)-1,4-diazepan-1-yl]ethanone
CID 158915053
4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide
CID 157299477
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 159576941
7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonane-2-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-(difluoromethyl)-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 159423140
6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
CID 159119891
1-(6-chloro-1H-indazol-4-yl)-N,4-dimethylpiperidine-4-carboxamide;8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;N-[2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]ethyl]acetamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-7-carbonitrile
CID 157218185
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 158303164
6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 159295379
N-[4-(6-chloro-1H-indol-4-yl)cyclohexyl]acetamide
CID 157358661
N-(6-chloro-1H-indol-4-yl)acetamide
CID 122534007
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 121326797

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide?
The IUPAC name of 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide (CID 160808884) is 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide is CC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CC(=O)Nc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CN(c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1)S(C)(=O)=O.Clc1cc(N2CCC(c3nccs3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide?
The InChIKey is SEBCARFEWFTJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S.C17H26N4O4S2.C17H24N4O3S.C16H16ClN3S/c1-13(23)20(4)14-10-16-15(6-7-19-16)17(11-14)21-8-9-22(26(5,24)25)18(2,3)12-21;1-17(2)12-20(8-9-21(17)27(5,24)25)16-11-13(19(3)26(4,22)23)10-15-14(16)6-7-18-15;1-12(22)19-13-9-15-14(5-6-18-15)16(10-13)20-7-8-21(25(4,23)24)17(2,3)11-20;17-12-9-14-13(1-4-18-14)15(10-12)20-6-2-11(3-7-20)16-19-5-8-21-16/h6-7,10-11,19H,8-9,12H2,1-5H3;6-7,10-11,18H,8-9,12H2,1-5H3;5-6,9-10,18H,7-8,11H2,1-4H3,(H,19,22);1,4-5,8-11,18H,2-3,6-7H2.
What are the key properties of 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide?
2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide has a molecular weight of 1475.37 g/mol, XLogP of 10.08, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 160808884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).