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

C74H95Cl3F3N19O8S3 — CID 159044041

About 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

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 (PubChem CID 159044041) has the molecular formula C74H95Cl3F3N19O8S3 and a molecular weight of 1638.25 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159044041
• Molecular Formula: C74H95Cl3F3N19O8S3
• Molecular Weight: 1638.25 g/mol
• Exact Mass: 1635.58
• IUPAC Name: 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
• SMILES: CC(=O)N1CCN(c2cc(Cl)cc3c2cnn3C)CC1(C)C.CC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@H]1C.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1.C[C@@H]1CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H](C)N1S(C)(=O)=O
• InChI: InChI=1S/C16H21ClN4O.C15H19ClN4O.C15H20N4O2S.C14H19ClN4O2S.C14H16F3N3O2S/c1-11(22)21-6-5-20(10-16(21,2)3)15-8-12(17)7-14-13(15)9-18-19(14)4;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-22(20,21)19-6-4-18(5-7-19)15-9-12(11-2-3-11)8-14-13(15)10-16-17-14;1-9-7-18(8-10(2)19(9)22(3,20)21)14-5-11(15)4-13-12(14)6-16-17-13;1-23(21,22)20-4-2-9(3-5-20)11-6-10(14(15,16)17)7-13-12(11)8-18-19-13/h7-9H,5-6,10H2,1-4H3;4-6,9-10H,7-8H2,1-3H3,(H,17,18);8-11H,2-7H2,1H3,(H,16,17);4-6,9-10H,7-8H2,1-3H3,(H,16,17);6-9H,2-5H2,1H3,(H,18,19)/t;9-,10-;;9-,10-;/m.1.1./s1
• InChIKey: JWKUUSBDYNLFKZ-UDCJQHSMSA-N
• XLogP: 11.65
• TPSA: 298.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1638.25
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)N1CCN(c2cc(Cl)cc3c2cnn3C)CC1(C)C.CC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@H]1C.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1.C[C@@H]1CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H](C)N1S(C)(=O)=O.

What is the InChIKey of 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?

The InChIKey is JWKUUSBDYNLFKZ-UDCJQHSMSA-N. The full InChI is InChI=1S/C16H21ClN4O.C15H19ClN4O.C15H20N4O2S.C14H19ClN4O2S.C14H16F3N3O2S/c1-11(22)21-6-5-20(10-16(21,2)3)15-8-12(17)7-14-13(15)9-18-19(14)4;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-22(20,21)19-6-4-18(5-7-19)15-9-12(11-2-3-11)8-14-13(15)10-16-17-14;1-9-7-18(8-10(2)19(9)22(3,20)21)14-5-11(15)4-13-12(14)6-16-17-13;1-23(21,22)20-4-2-9(3-5-20)11-6-10(14(15,16)17)7-13-12(11)8-18-19-13/h7-9H,5-6,10H2,1-4H3;4-6,9-10H,7-8H2,1-3H3,(H,17,18);8-11H,2-7H2,1H3,(H,16,17);4-6,9-10H,7-8H2,1-3H3,(H,16,17);6-9H,2-5H2,1H3,(H,18,19)/t;9-,10-;;9-,10-;/m.1.1./s1.

What are the key properties of 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?

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 has a molecular weight of 1638.25 g/mol, XLogP of 11.65, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159044041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).