6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole

C65H83Cl2N17O9S4 — CID 157480713

IUPAC6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
SMILESCC(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.CS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2ccc(Cl)c3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.Cc1ccc(C2CCN(S(C)(=O)=O)CC2)c2cn[nH]c12
InChIInChI=1S/C14H19N3O2S.2C13H16ClN3O2S.C13H16N4O.C12H16N4O2S/c1-10-3-4-12(13-9-15-16-14(10)13)11-5-7-17(8-6-11)20(2,18)19;1-20(18,19)17-4-2-9(3-5-17)11-6-10(14)7-13-12(11)8-15-16-13;1-20(18,19)17-6-4-9(5-7-17)10-2-3-12(14)13-11(10)8-15-16-13;1-10(18)16-4-6-17(7-5-16)12-2-3-13-11(8-12)9-14-15-13;1-19(17,18)16-6-4-15(5-7-16)11-2-3-12-10(8-11)9-13-14-12/h3-4,9,11H,5-8H2,1-2H3,(H,15,16);6-9H,2-5H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,14,15);2-3,8-9H,4-7H2,1H3,(H,13,14)
InChIKeyBWCVRKRGDYJSTC-UHFFFAOYSA-N
MW1445.66 g/mol
LogP8.60
Rot. Bonds9

About 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole

6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole (PubChem CID 157480713) has the molecular formula C65H83Cl2N17O9S4 and a molecular weight of 1445.66 g/mol. Its IUPAC name is 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
PubChem CID157480713
Molecular FormulaC65H83Cl2N17O9S4
Molecular Weight1445.66 g/mol
Exact Mass1443.48
IUPAC Name6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
SMILESCC(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.CS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2ccc(Cl)c3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.Cc1ccc(C2CCN(S(C)(=O)=O)CC2)c2cn[nH]c12
InChIInChI=1S/C14H19N3O2S.2C13H16ClN3O2S.C13H16N4O.C12H16N4O2S/c1-10-3-4-12(13-9-15-16-14(10)13)11-5-7-17(8-6-11)20(2,18)19;1-20(18,19)17-4-2-9(3-5-17)11-6-10(14)7-13-12(11)8-15-16-13;1-20(18,19)17-6-4-9(5-7-17)10-2-3-12(14)13-11(10)8-15-16-13;1-10(18)16-4-6-17(7-5-16)12-2-3-13-11(8-12)9-14-15-13;1-19(17,18)16-6-4-15(5-7-16)11-2-3-12-10(8-11)9-13-14-12/h3-4,9,11H,5-8H2,1-2H3,(H,15,16);6-9H,2-5H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,14,15);2-3,8-9H,4-7H2,1H3,(H,13,14)
InChIKeyBWCVRKRGDYJSTC-UHFFFAOYSA-N
XLogP8.60
TPSA319.71 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.66
LogP ≤ 58.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(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
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
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;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-3-amine;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158943468
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-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole (CID 157480713) is 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole is CC(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.CS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2ccc(Cl)c3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.Cc1ccc(C2CCN(S(C)(=O)=O)CC2)c2cn[nH]c12.
What is the InChIKey of 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The InChIKey is BWCVRKRGDYJSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.2C13H16ClN3O2S.C13H16N4O.C12H16N4O2S/c1-10-3-4-12(13-9-15-16-14(10)13)11-5-7-17(8-6-11)20(2,18)19;1-20(18,19)17-4-2-9(3-5-17)11-6-10(14)7-13-12(11)8-15-16-13;1-20(18,19)17-6-4-9(5-7-17)10-2-3-12(14)13-11(10)8-15-16-13;1-10(18)16-4-6-17(7-5-16)12-2-3-13-11(8-12)9-14-15-13;1-19(17,18)16-6-4-15(5-7-16)11-2-3-12-10(8-11)9-13-14-12/h3-4,9,11H,5-8H2,1-2H3,(H,15,16);6-9H,2-5H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,15,16);2-3,8-9H,4-7H2,1H3,(H,14,15);2-3,8-9H,4-7H2,1H3,(H,13,14).
What are the key properties of 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?
6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole has a molecular weight of 1445.66 g/mol, XLogP of 8.60, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 157480713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).