1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

C76H98BrCl2N19O9S3 — CID 158224996

About 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (PubChem CID 158224996) has the molecular formula C76H98BrCl2N19O9S3 and a molecular weight of 1668.75 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.

Molecular Properties

• Compound Name: 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
• PubChem CID: 158224996
• Molecular Formula: C76H98BrCl2N19O9S3
• Molecular Weight: 1668.75 g/mol
• Exact Mass: 1665.55
• IUPAC Name: 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
• SMILES: CC(=O)N1CC=C(c2cc(Br)cc3[nH]ncc23)CC1.CC1(C)CN(c2cc(C3CC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN(CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.O=C(CO)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/2C17H24N4O2S.C15H21ClN4O2S.C14H14BrN3O.C13H15ClN4O2/c1-17(2)11-20(6-7-21(17)24(3,22)23)16-9-13(12-4-5-12)8-15-14(16)10-18-19-15;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(23(2,21)22)10-11-3-5-20(6-4-11)15-8-12(16)7-14-13(15)9-17-18-14;1-9(19)18-4-2-10(3-5-18)12-6-11(15)7-14-13(12)8-16-17-14;14-9-5-11-10(7-15-16-11)12(6-9)17-1-3-18(4-2-17)13(20)8-19/h8-10,12H,4-7,11H2,1-3H3,(H,18,19);10-13H,2-9H2,1H3,(H,18,19);7-9,11H,3-6,10H2,1-2H3,(H,17,18);2,6-8H,3-5H2,1H3,(H,16,17);5-7,19H,1-4,8H2,(H,15,16)
• InChIKey: GDRNETKMZKFSSG-UHFFFAOYSA-N
• XLogP: 10.74
• TPSA: 329.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1668.75
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The IUPAC name of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (CID 158224996) is 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.

What is the SMILES notation for 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The canonical SMILES for 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is CC(=O)N1CC=C(c2cc(Br)cc3[nH]ncc23)CC1.CC1(C)CN(c2cc(C3CC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN(CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.O=C(CO)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.

What is the InChIKey of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The InChIKey is GDRNETKMZKFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H24N4O2S.C15H21ClN4O2S.C14H14BrN3O.C13H15ClN4O2/c1-17(2)11-20(6-7-21(17)24(3,22)23)16-9-13(12-4-5-12)8-15-14(16)10-18-19-15;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(23(2,21)22)10-11-3-5-20(6-4-11)15-8-12(16)7-14-13(15)9-17-18-14;1-9(19)18-4-2-10(3-5-18)12-6-11(15)7-14-13(12)8-16-17-14;14-9-5-11-10(7-15-16-11)12(6-9)17-1-3-18(4-2-17)13(20)8-19/h8-10,12H,4-7,11H2,1-3H3,(H,18,19);10-13H,2-9H2,1H3,(H,18,19);7-9,11H,3-6,10H2,1-2H3,(H,17,18);2,6-8H,3-5H2,1H3,(H,16,17);5-7,19H,1-4,8H2,(H,15,16).

What are the key properties of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole has a molecular weight of 1668.75 g/mol, XLogP of 10.74, 13 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)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 158224996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).