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

C75H98Cl3F3N20O8S3 — CID 158400129

About 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

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 (PubChem CID 158400129) has the molecular formula C75H98Cl3F3N20O8S3 and a molecular weight of 1667.29 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158400129
• Molecular Formula: C75H98Cl3F3N20O8S3
• Molecular Weight: 1667.29 g/mol
• Exact Mass: 1664.61
• IUPAC Name: 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
• SMILES: CC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1(C)C.CN(C)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]nc(N)c23)CC1.C[C@@H]1CN(c2cc(Cl)cc3[nH]ncc23)C[C@H](C)N1S(C)(=O)=O
• InChI: InChI=1S/C17H20F3N3O.C17H24N4O2S.C15H19ClN4O.C14H19ClN4O2S.C12H16ClN5O2S/c1-10(24)23-5-4-11(8-16(23,2)3)13-6-12(17(18,19)20)7-15-14(13)9-21-22-15;1-24(22,23)21-8-6-20(7-9-21)17-11-14(13-4-2-3-5-13)10-16-15(17)12-18-19-16;1-19(2)15(21)20-5-3-10(4-6-20)12-7-11(16)8-14-13(12)9-17-18-14;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;1-21(19,20)18-4-2-17(3-5-18)10-7-8(13)6-9-11(10)12(14)16-15-9/h6-7,9,11H,4-5,8H2,1-3H3,(H,21,22);10-13H,2-9H2,1H3,(H,18,19);7-10H,3-6H2,1-2H3,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,16,17);6-7H,2-5H2,1H3,(H3,14,15,16)/t;;;9-,10+
• InChIKey: GXZQCSVSBCKGJR-SQWFDUTMSA-N
• XLogP: 12.42
• TPSA: 335.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1667.29
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1(C)C.CN(C)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]nc(N)c23)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,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?

The InChIKey is GXZQCSVSBCKGJR-SQWFDUTMSA-N. The full InChI is InChI=1S/C17H20F3N3O.C17H24N4O2S.C15H19ClN4O.C14H19ClN4O2S.C12H16ClN5O2S/c1-10(24)23-5-4-11(8-16(23,2)3)13-6-12(17(18,19)20)7-15-14(13)9-21-22-15;1-24(22,23)21-8-6-20(7-9-21)17-11-14(13-4-2-3-5-13)10-16-15(17)12-18-19-16;1-19(2)15(21)20-5-3-10(4-6-20)12-7-11(16)8-14-13(12)9-17-18-14;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;1-21(19,20)18-4-2-17(3-5-18)10-7-8(13)6-9-11(10)12(14)16-15-9/h6-7,9,11H,4-5,8H2,1-3H3,(H,21,22);10-13H,2-9H2,1H3,(H,18,19);7-10H,3-6H2,1-2H3,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,16,17);6-7H,2-5H2,1H3,(H3,14,15,16)/t;;;9-,10+;.

What are the key properties of 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?

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 has a molecular weight of 1667.29 g/mol, XLogP of 12.42, 9 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158400129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).