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

C68H91ClN20O8S3 — CID 157092304

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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
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.CC1CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H20N4O.C14H20N4O2S.C14H18N4O.C13H18N4O2S.C12H15ClN4O2S/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;1-10-9-16(6-7-17(10)20(2,18)19)13-5-3-4-12-11(13)8-14-15-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/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);3-5,8,10H,6-7,9H2,1-2H3,(H,14,15);6-8H,2-5H2,1H3,(H,14,15)
InChIKeyAEUMQQDTHITLOI-UHFFFAOYSA-N
MW1448.26 g/mol
LogP7.38
Rot. Bonds8

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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

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 (PubChem CID 157092304) has the molecular formula C68H91ClN20O8S3 and a molecular weight of 1448.26 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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.

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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
PubChem CID157092304
Molecular FormulaC68H91ClN20O8S3
Molecular Weight1448.26 g/mol
Exact Mass1446.62
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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
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.CC1CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H20N4O.C14H20N4O2S.C14H18N4O.C13H18N4O2S.C12H15ClN4O2S/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;1-10-9-16(6-7-17(10)20(2,18)19)13-5-3-4-12-11(13)8-14-15-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/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);3-5,8,10H,6-7,9H2,1-2H3,(H,14,15);6-8H,2-5H2,1H3,(H,14,15)
InChIKeyAEUMQQDTHITLOI-UHFFFAOYSA-N
XLogP7.38
TPSA312.36 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001448.26
LogP ≤ 57.38
H-Bond Donors ≤ 55
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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole with MolForge

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Related Compounds

6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 157897359
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-[(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
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
8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;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;2-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine
CID 160173498

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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (CID 157092304) 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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.
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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole 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.CC1CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The InChIKey is AEUMQQDTHITLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.C14H20N4O2S.C14H18N4O.C13H18N4O2S.C12H15ClN4O2S/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;1-10-9-16(6-7-17(10)20(2,18)19)13-5-3-4-12-11(13)8-14-15-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/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);3-5,8,10H,6-7,9H2,1-2H3,(H,14,15);6-8H,2-5H2,1H3,(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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
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 has a molecular weight of 1448.26 g/mol, XLogP of 7.38, 8 rotatable bonds, 5 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;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 157092304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).