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

C56H68Cl4N12O6S2 — CID 158303164

IUPAC1-[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
SMILESCC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)C1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12
InChIInChI=1S/2C14H18ClN3O2S.2C14H16ClN3O/c2*1-10-9-17(21(2,19)20)5-6-18(10)14-8-11(15)7-13-12(14)3-4-16-13;1-9(19)17-11-3-5-18(8-11)14-7-10(15)6-13-12(14)2-4-16-13;1-9(19)10-3-2-4-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13/h2*3-4,7-8,10,16H,5-6,9H2,1-2H3;2,4,6-7,11,16H,3,5,8H2,1H3,(H,17,19);5-7,10H,2-4,8H2,1H3,(H,16,17)/t2*10-;;/m10../s1
InChIKeyGMSZYDYBJZBQHU-URVPKTFKSA-N
MW1211.18 g/mol
LogP10.14
Rot. Bonds8

About 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

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 (PubChem CID 158303164) has the molecular formula C56H68Cl4N12O6S2 and a molecular weight of 1211.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158303164
Molecular FormulaC56H68Cl4N12O6S2
Molecular Weight1211.18 g/mol
Exact Mass1208.36
IUPAC Name1-[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
SMILESCC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)C1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12
InChIInChI=1S/2C14H18ClN3O2S.2C14H16ClN3O/c2*1-10-9-17(21(2,19)20)5-6-18(10)14-8-11(15)7-13-12(14)3-4-16-13;1-9(19)17-11-3-5-18(8-11)14-7-10(15)6-13-12(14)2-4-16-13;1-9(19)10-3-2-4-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13/h2*3-4,7-8,10,16H,5-6,9H2,1-2H3;2,4,6-7,11,16H,3,5,8H2,1H3,(H,17,19);5-7,10H,2-4,8H2,1H3,(H,16,17)/t2*10-;;/m10../s1
InChIKeyGMSZYDYBJZBQHU-URVPKTFKSA-N
XLogP10.14
TPSA209.94 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.18
LogP ≤ 510.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 159480763
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159576939
7-(6-chloro-1H-indol-4-yl)-2,7-diazaspiro[3.5]nonane-2-sulfonamide;5-(6-chloro-1H-indol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1'-(6-chloro-1H-indol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole
CID 161582824
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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 157092304
1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole
CID 157115296
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
CID 157135241
8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(1R,5S)-3-(6-chloro-1H-indol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 157162653
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide
CID 157299475
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole
CID 157416682
6-(6-chloro-1H-indol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indol-4-yl)cyclohexan-1-ol;N-[2-[2,2-dimethyl-4-(6-methyl-1H-indazol-4-yl)piperazin-1-yl]ethyl]acetamide;N-[2-[2,2-dimethyl-4-(6-methyl-1H-indazol-4-yl)piperazin-1-yl]ethyl]methanesulfonamide;trans-(1S,2R)-2-(6-chloro-1H-indol-4-yl)cyclohexan-1-ol
CID 157421233
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;4-(6-chloro-1H-indazol-4-yl)piperazine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 157541172
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindole;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 157644215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)C1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12.
What is the InChIKey of 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?
The InChIKey is GMSZYDYBJZBQHU-URVPKTFKSA-N. The full InChI is InChI=1S/2C14H18ClN3O2S.2C14H16ClN3O/c2*1-10-9-17(21(2,19)20)5-6-18(10)14-8-11(15)7-13-12(14)3-4-16-13;1-9(19)17-11-3-5-18(8-11)14-7-10(15)6-13-12(14)2-4-16-13;1-9(19)10-3-2-4-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13/h2*3-4,7-8,10,16H,5-6,9H2,1-2H3;2,4,6-7,11,16H,3,5,8H2,1H3,(H,17,19);5-7,10H,2-4,8H2,1H3,(H,16,17)/t2*10-;;/m10../s1.
What are the key properties of 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?
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 has a molecular weight of 1211.18 g/mol, XLogP of 10.14, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158303164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).