2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)

C181H178F2N30O20S — CID 158855280

About 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)

2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) (PubChem CID 158855280) has the molecular formula C181H178F2N30O20S and a molecular weight of 3163.67 g/mol. Its IUPAC name is 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide).

Molecular Properties

• Compound Name: 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)
• PubChem CID: 158855280
• Molecular Formula: C181H178F2N30O20S
• Molecular Weight: 3163.67 g/mol
• Exact Mass: 3161.35
• IUPAC Name: 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)
• SMILES: CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CN1S(C)(=O)=O.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C1Cc1ccccc1
• InChI: InChI=1S/C35H33N5O3.C30H29F2N5O5S.4C29H29N5O3/c1-39-21-30(24-11-6-3-7-12-24)40(33(42)29(39)17-23-9-4-2-5-10-23)22-31(41)37-27-15-14-25-19-35(20-26(25)18-27)28-13-8-16-36-32(28)38-34(35)43;1-29(2)28(40)36(24(15-37(29)43(3,41)42)18-9-20(31)12-21(32)10-18)16-25(38)34-22-7-6-17-13-30(14-19(17)11-22)23-5-4-8-33-26(23)35-27(30)39;4*1-18-27(36)34(24(16-33(18)2)19-7-4-3-5-8-19)17-25(35)31-22-11-10-20-14-29(15-21(20)13-22)23-9-6-12-30-26(23)32-28(29)37/h2-16,18,29-30H,17,19-22H2,1H3,(H,37,41)(H,36,38,43);4-12,24H,13-16H2,1-3H3,(H,34,38)(H,33,35,39);4*3-13,18,24H,14-17H2,1-2H3,(H,31,35)(H,30,32,37)
• InChIKey: IZYWHSJHWQUDIL-UHFFFAOYSA-N
• XLogP: 18.70
• TPSA: 601.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3163.67
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?

The IUPAC name of 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) (CID 158855280) is 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide).

What is the SMILES notation for 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?

The canonical SMILES for 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) is CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CN1S(C)(=O)=O.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CC1C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2ccccc2)CN1C.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C1Cc1ccccc1.

What is the InChIKey of 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?

The InChIKey is IZYWHSJHWQUDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O3.C30H29F2N5O5S.4C29H29N5O3/c1-39-21-30(24-11-6-3-7-12-24)40(33(42)29(39)17-23-9-4-2-5-10-23)22-31(41)37-27-15-14-25-19-35(20-26(25)18-27)28-13-8-16-36-32(28)38-34(35)43;1-29(2)28(40)36(24(15-37(29)43(3,41)42)18-9-20(31)12-21(32)10-18)16-25(38)34-22-7-6-17-13-30(14-19(17)11-22)23-5-4-8-33-26(23)35-27(30)39;4*1-18-27(36)34(24(16-33(18)2)19-7-4-3-5-8-19)17-25(35)31-22-11-10-20-14-29(15-21(20)13-22)23-9-6-12-30-26(23)32-28(29)37/h2-16,18,29-30H,17,19-22H2,1H3,(H,37,41)(H,36,38,43);4-12,24H,13-16H2,1-3H3,(H,34,38)(H,33,35,39);4*3-13,18,24H,14-17H2,1-2H3,(H,31,35)(H,30,32,37).

What are the key properties of 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?

2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) has a molecular weight of 3163.67 g/mol, XLogP of 18.70, 27 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[6-(3,5-difluorophenyl)-3,3-dimethyl-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;tetrakis(2-(3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) is sourced from PubChem (CID 158855280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).