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

C69H85Cl2F4N21O7S2 — CID 158138202

IUPAC6-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
SMILESCC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN1CC2CN(c3cccc4[nH]ncc34)CCN2C1=O.CS(=O)(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H19ClN4O.C14H19ClN4O2S.C14H15F3N4O.C14H17N5O.C12H15FN4O2S/c1-10(21)20-5-4-19(9-15(20,2)3)14-7-11(16)6-13-12(14)8-17-18-13;1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12;1-9(22)20-2-4-21(5-3-20)13-7-10(14(15,16)17)6-12-11(13)8-18-19-12;1-17-8-10-9-18(5-6-19(10)14(17)20)13-4-2-3-12-11(13)7-15-16-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/h6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);6-8H,2-5H2,1H3,(H,18,19);2-4,7,10H,5-6,8-9H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15)
InChIKeyFTPNUYHLQKDMDW-UHFFFAOYSA-N
MW1531.61 g/mol
LogP8.89
Rot. Bonds7

About 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

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 (PubChem CID 158138202) has the molecular formula C69H85Cl2F4N21O7S2 and a molecular weight of 1531.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158138202
Molecular FormulaC69H85Cl2F4N21O7S2
Molecular Weight1531.61 g/mol
Exact Mass1529.57
IUPAC Name6-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
SMILESCC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN1CC2CN(c3cccc4[nH]ncc34)CCN2C1=O.CS(=O)(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H19ClN4O.C14H19ClN4O2S.C14H15F3N4O.C14H17N5O.C12H15FN4O2S/c1-10(21)20-5-4-19(9-15(20,2)3)14-7-11(16)6-13-12(14)8-17-18-13;1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12;1-9(22)20-2-4-21(5-3-20)13-7-10(14(15,16)17)6-12-11(13)8-18-19-12;1-17-8-10-9-18(5-6-19(10)14(17)20)13-4-2-3-12-11(13)7-15-16-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/h6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);6-8H,2-5H2,1H3,(H,18,19);2-4,7,10H,5-6,8-9H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15)
InChIKeyFTPNUYHLQKDMDW-UHFFFAOYSA-N
XLogP8.89
TPSA298.53 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.61
LogP ≤ 58.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN1CC2CN(c3cccc4[nH]ncc34)CCN2C1=O.CS(=O)(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.
What is the InChIKey of 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?
The InChIKey is FTPNUYHLQKDMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.C14H19ClN4O2S.C14H15F3N4O.C14H17N5O.C12H15FN4O2S/c1-10(21)20-5-4-19(9-15(20,2)3)14-7-11(16)6-13-12(14)8-17-18-13;1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12;1-9(22)20-2-4-21(5-3-20)13-7-10(14(15,16)17)6-12-11(13)8-18-19-12;1-17-8-10-9-18(5-6-19(10)14(17)20)13-4-2-3-12-11(13)7-15-16-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/h6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);6-8H,2-5H2,1H3,(H,18,19);2-4,7,10H,5-6,8-9H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 1531.61 g/mol, XLogP of 8.89, 7 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158138202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).