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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

C62H77BrClN15O6S — CID 157091608

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 157091608) has the molecular formula C62H77BrClN15O6S and a molecular weight of 1275.82 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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• PubChem CID: 157091608
• Molecular Formula: C62H77BrClN15O6S
• Molecular Weight: 1275.82 g/mol
• Exact Mass: 1273.48
• 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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2cc(Br)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C3CC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.O=C(CO)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C18H24N4O.C17H24N4O2S.C14H14BrN3O.C13H15ClN4O2/c1-12(23)22-7-6-21(11-18(22,2)3)17-9-14(13-4-5-13)8-16-15(17)10-19-20-16;1-17(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;1-9(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/h8-10,13H,4-7,11H2,1-3H3,(H,19,20);8-10,12H,4-7,11H2,1-3H3,(H,18,19);2,6-8H,3-5H2,1H3,(H,16,17);5-7,19H,1-4,8H2,(H,15,16)
• InChIKey: AESPPWHZTFZNQN-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 242.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.82
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (CID 157091608) 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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CC=C(c2cc(Br)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C3CC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The InChIKey is AESPPWHZTFZNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.C17H24N4O2S.C14H14BrN3O.C13H15ClN4O2/c1-12(23)22-7-6-21(11-18(22,2)3)17-9-14(13-4-5-13)8-16-15(17)10-19-20-16;1-17(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;1-9(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/h8-10,13H,4-7,11H2,1-3H3,(H,19,20);8-10,12H,4-7,11H2,1-3H3,(H,18,19);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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 1275.82 g/mol, XLogP of 9.01, 8 rotatable bonds, 5 hydrogen bond donors, and 13 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;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 157091608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).