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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine

C66H84BrCl3N20O8S3 — CID 157367354

IUPAC1-[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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine
SMILESCC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1C.CC1CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(Nc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C14H17ClN4O.C13H15BrN4O.2C13H17ClN4O2S.C13H18N4O2S/c1-9-8-18(3-4-19(9)10(2)20)14-6-11(15)5-13-12(14)7-16-17-13;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-9-8-17(3-4-18(9)21(2,19)20)13-6-10(14)5-12-11(13)7-15-16-12;1-21(19,20)18-4-2-3-17(5-6-18)13-8-10(14)7-12-11(13)9-15-16-12;1-20(18,19)17-7-5-10(6-8-17)15-12-3-2-4-13-11(12)9-14-16-13/h5-7,9H,3-4,8H2,1-2H3,(H,16,17);6-8H,2-5H2,1H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);7-9H,2-6H2,1H3,(H,15,16);2-4,9-10,15H,5-8H2,1H3,(H,14,16)
InChIKeyBJIOIIAXHPTMPB-UHFFFAOYSA-N
MW1567.99 g/mol
LogP9.04
Rot. Bonds9

About 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine

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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine (PubChem CID 157367354) has the molecular formula C66H84BrCl3N20O8S3 and a molecular weight of 1567.99 g/mol. Its IUPAC name is 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine.

Molecular Properties

Compound Name1-[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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine
PubChem CID157367354
Molecular FormulaC66H84BrCl3N20O8S3
Molecular Weight1567.99 g/mol
Exact Mass1564.42
IUPAC Name1-[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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine
SMILESCC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1C.CC1CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(Nc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C14H17ClN4O.C13H15BrN4O.2C13H17ClN4O2S.C13H18N4O2S/c1-9-8-18(3-4-19(9)10(2)20)14-6-11(15)5-13-12(14)7-16-17-13;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-9-8-17(3-4-18(9)21(2,19)20)13-6-10(14)5-12-11(13)7-15-16-12;1-21(19,20)18-4-2-3-17(5-6-18)13-8-10(14)7-12-11(13)9-15-16-12;1-20(18,19)17-7-5-10(6-8-17)15-12-3-2-4-13-11(12)9-14-16-13/h5-7,9H,3-4,8H2,1-2H3,(H,16,17);6-8H,2-5H2,1H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);7-9H,2-6H2,1H3,(H,15,16);2-4,9-10,15H,5-8H2,1H3,(H,14,16)
InChIKeyBJIOIIAXHPTMPB-UHFFFAOYSA-N
XLogP9.04
TPSA321.15 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001567.99
LogP ≤ 59.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine with MolForge

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Related Compounds

1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;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;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 157600466
(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 157657150
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
6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-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 158842859
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
1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;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 159165634
6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 159195006
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
3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]ethyl]methanesulfonamide;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 159482880
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
(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 161299647

Frequently Asked Questions

What is the IUPAC name of 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine?
The IUPAC name of 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine (CID 157367354) is 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine.
What is the SMILES notation for 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine?
The canonical SMILES for 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine is CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1C.CC1CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(Nc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine?
The InChIKey is BJIOIIAXHPTMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O.C13H15BrN4O.2C13H17ClN4O2S.C13H18N4O2S/c1-9-8-18(3-4-19(9)10(2)20)14-6-11(15)5-13-12(14)7-16-17-13;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-9-8-17(3-4-18(9)21(2,19)20)13-6-10(14)5-12-11(13)7-15-16-12;1-21(19,20)18-4-2-3-17(5-6-18)13-8-10(14)7-12-11(13)9-15-16-12;1-20(18,19)17-7-5-10(6-8-17)15-12-3-2-4-13-11(12)9-14-16-13/h5-7,9H,3-4,8H2,1-2H3,(H,16,17);6-8H,2-5H2,1H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);7-9H,2-6H2,1H3,(H,15,16);2-4,9-10,15H,5-8H2,1H3,(H,14,16).
What are the key properties of 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine?
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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine has a molecular weight of 1567.99 g/mol, XLogP of 9.04, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine is sourced from PubChem (CID 157367354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).