3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one

C132H152BrN15O16S4 — CID 159970161

About 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one

3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 159970161) has the molecular formula C132H152BrN15O16S4 and a molecular weight of 2412.93 g/mol. Its IUPAC name is 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
• PubChem CID: 159970161
• Molecular Formula: C132H152BrN15O16S4
• Molecular Weight: 2412.93 g/mol
• Exact Mass: 2409.96
• IUPAC Name: 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
• SMILES: C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCCCC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCCCC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C(C)C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(Br)cc32)CC1
• InChI: InChI=1S/C37H45N5O4S.2C35H40N4O4S.C25H27BrN2O4S/c1-7-12-37(13-14-37)47(45,46)42-23-26(5)35-31(33(43)10-9-30-25(4)19-27(6)39-36(30)44)20-29(21-32(35)42)28-8-11-34(38-22-28)41-17-15-40(16-18-41)24(2)3;2*1-5-13-35(14-15-35)44(42,43)39-22-24(3)33-29(31(40)11-10-28-23(2)18-25(4)37-34(28)41)19-27(20-30(33)39)26-9-12-32(36-21-26)38-16-7-6-8-17-38;1-5-8-25(9-10-25)33(31,32)28-14-16(3)23-20(12-18(26)13-21(23)28)22(29)7-6-19-15(2)11-17(4)27-24(19)30/h7-8,11,19-24H,1,9-10,12-18H2,2-6H3,(H,39,44);2*5,9,12,18-22H,1,6-8,10-11,13-17H2,2-4H3,(H,37,41);5,11-14H,1,6-10H2,2-4H3,(H,27,30)
• InChIKey: OELCSDAHEVEGHF-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 407.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.93
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

The IUPAC name of 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 159970161) is 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one.

What is the SMILES notation for 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

The canonical SMILES for 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one is C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCCCC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCCCC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C(C)C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(Br)cc32)CC1.

What is the InChIKey of 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

The InChIKey is OELCSDAHEVEGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N5O4S.2C35H40N4O4S.C25H27BrN2O4S/c1-7-12-37(13-14-37)47(45,46)42-23-26(5)35-31(33(43)10-9-30-25(4)19-27(6)39-36(30)44)20-29(21-32(35)42)28-8-11-34(38-22-28)41-17-15-40(16-18-41)24(2)3;2*1-5-13-35(14-15-35)44(42,43)39-22-24(3)33-29(31(40)11-10-28-23(2)18-25(4)37-34(28)41)19-27(20-30(33)39)26-9-12-32(36-21-26)38-16-7-6-8-17-38;1-5-8-25(9-10-25)33(31,32)28-14-16(3)23-20(12-18(26)13-21(23)28)22(29)7-6-19-15(2)11-17(4)27-24(19)30/h7-8,11,19-24H,1,9-10,12-18H2,2-6H3,(H,39,44);2*5,9,12,18-22H,1,6-8,10-11,13-17H2,2-4H3,(H,37,41);5,11-14H,1,6-10H2,2-4H3,(H,27,30).

What are the key properties of 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 2412.93 g/mol, XLogP of 23.89, 39 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 159970161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).