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

C67H90ClN21O8S3 — CID 158801502

IUPAC6-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
SMILESCC(=O)N1CCN(c2cccc3[nH]ncc23)CC1(C)C.CC(=O)N1CCN(c2cccc3[nH]ncc23)CC1C.CC1(C)CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CNS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H20N4O.C14H20N4O2S.C14H18N4O.C12H15ClN4O2S.C12H17N5O2S/c1-11(20)19-8-7-18(10-15(19,2)3)14-6-4-5-13-12(14)9-16-17-13;1-14(2)10-17(7-8-18(14)21(3,19)20)13-6-4-5-12-11(13)9-15-16-12;1-10-9-17(6-7-18(10)11(2)19)14-5-3-4-13-12(14)8-15-16-13;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11;1-13-20(18,19)17-7-5-16(6-8-17)12-4-2-3-11-10(12)9-14-15-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17);4-6,9H,7-8,10H2,1-3H3,(H,15,16);3-5,8,10H,6-7,9H2,1-2H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15);2-4,9,13H,5-8H2,1H3,(H,14,15)
InChIKeyITNSLIBCUIMVEE-UHFFFAOYSA-N
MW1449.25 g/mol
LogP6.50
Rot. Bonds9

About 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

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 (PubChem CID 158801502) has the molecular formula C67H90ClN21O8S3 and a molecular weight of 1449.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158801502
Molecular FormulaC67H90ClN21O8S3
Molecular Weight1449.25 g/mol
Exact Mass1447.61
IUPAC Name6-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
SMILESCC(=O)N1CCN(c2cccc3[nH]ncc23)CC1(C)C.CC(=O)N1CCN(c2cccc3[nH]ncc23)CC1C.CC1(C)CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CNS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H20N4O.C14H20N4O2S.C14H18N4O.C12H15ClN4O2S.C12H17N5O2S/c1-11(20)19-8-7-18(10-15(19,2)3)14-6-4-5-13-12(14)9-16-17-13;1-14(2)10-17(7-8-18(14)21(3,19)20)13-6-4-5-12-11(13)9-15-16-12;1-10-9-17(6-7-18(10)11(2)19)14-5-3-4-13-12(14)8-15-16-13;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11;1-13-20(18,19)17-7-5-16(6-8-17)12-4-2-3-11-10(12)9-14-15-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17);4-6,9H,7-8,10H2,1-3H3,(H,15,16);3-5,8,10H,6-7,9H2,1-2H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15);2-4,9,13H,5-8H2,1H3,(H,14,15)
InChIKeyITNSLIBCUIMVEE-UHFFFAOYSA-N
XLogP6.50
TPSA324.39 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.25
LogP ≤ 56.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158050837
4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 158105692
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;7-(1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 158138202
8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 158356919
6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 158376020
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-3-amine;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158400129
1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine
CID 158852647
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 159044041
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;7-(1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 159390344
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
2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159625005
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 160070402

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158801502) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2cccc3[nH]ncc23)CC1(C)C.CC(=O)N1CCN(c2cccc3[nH]ncc23)CC1C.CC1(C)CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CNS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 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?
The InChIKey is ITNSLIBCUIMVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.C14H20N4O2S.C14H18N4O.C12H15ClN4O2S.C12H17N5O2S/c1-11(20)19-8-7-18(10-15(19,2)3)14-6-4-5-13-12(14)9-16-17-13;1-14(2)10-17(7-8-18(14)21(3,19)20)13-6-4-5-12-11(13)9-15-16-12;1-10-9-17(6-7-18(10)11(2)19)14-5-3-4-13-12(14)8-15-16-13;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11;1-13-20(18,19)17-7-5-16(6-8-17)12-4-2-3-11-10(12)9-14-15-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17);4-6,9H,7-8,10H2,1-3H3,(H,15,16);3-5,8,10H,6-7,9H2,1-2H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15);2-4,9,13H,5-8H2,1H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 1449.25 g/mol, XLogP of 6.50, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158801502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).