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

C63H78BrCl2N11O7S2 — CID 157172602

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

1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole (PubChem CID 157172602) has the molecular formula C63H78BrCl2N11O7S2 and a molecular weight of 1316.33 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole.

Molecular Properties

• Compound Name: 1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole
• PubChem CID: 157172602
• Molecular Formula: C63H78BrCl2N11O7S2
• Molecular Weight: 1316.33 g/mol
• Exact Mass: 1313.41
• IUPAC Name: 1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole
• SMILES: CC(=O)N1CC=C(c2cc(Br)cc3[nH]ccc23)CC1.CC1(C)CN(c2cc(C3CC3)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN(CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O.O=C(CO)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C18H25N3O2S.C16H22ClN3O2S.C15H15BrN2O.C14H16ClN3O2/c1-18(2)12-20(8-9-21(18)24(3,22)23)17-11-14(13-4-5-13)10-16-15(17)6-7-19-16;1-19(23(2,21)22)11-12-4-7-20(8-5-12)16-10-13(17)9-15-14(16)3-6-18-15;1-10(19)18-6-3-11(4-7-18)14-8-12(16)9-15-13(14)2-5-17-15;15-10-7-12-11(1-2-16-12)13(8-10)17-3-5-18(6-4-17)14(20)9-19/h6-7,10-11,13,19H,4-5,8-9,12H2,1-3H3;3,6,9-10,12,18H,4-5,7-8,11H2,1-2H3;2-3,5,8-9,17H,4,6-7H2,1H3;1-2,7-8,16,19H,3-6,9H2
• InChIKey: ANQLNDRVNKYLJH-UHFFFAOYSA-N
• XLogP: 10.86
• TPSA: 208.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1316.33
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole (CID 157172602) is 1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole.

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

The canonical SMILES for 1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole is CC(=O)N1CC=C(c2cc(Br)cc3[nH]ccc23)CC1.CC1(C)CN(c2cc(C3CC3)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN(CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O.O=C(CO)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.

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

The InChIKey is ANQLNDRVNKYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.C16H22ClN3O2S.C15H15BrN2O.C14H16ClN3O2/c1-18(2)12-20(8-9-21(18)24(3,22)23)17-11-14(13-4-5-13)10-16-15(17)6-7-19-16;1-19(23(2,21)22)11-12-4-7-20(8-5-12)16-10-13(17)9-15-14(16)3-6-18-15;1-10(19)18-6-3-11(4-7-18)14-8-12(16)9-15-13(14)2-5-17-15;15-10-7-12-11(1-2-16-12)13(8-10)17-3-5-18(6-4-17)14(20)9-19/h6-7,10-11,13,19H,4-5,8-9,12H2,1-3H3;3,6,9-10,12,18H,4-5,7-8,11H2,1-2H3;2-3,5,8-9,17H,4,6-7H2,1H3;1-2,7-8,16,19H,3-6,9H2.

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

1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole has a molecular weight of 1316.33 g/mol, XLogP of 10.86, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole is sourced from PubChem (CID 157172602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).