2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)

C188H179F9N30O18 — CID 157302165

IUPAC2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CN1CC(F)(F)F.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CN1Cc1ccccc1.CC1(C)NCC(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CC2.O=C(CN1C(=O)C2(CCCC2)NCC1c1ccccc1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NCC1c1ccccc1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C36H33F2N5O3.C31H28F5N5O3.2C31H31N5O3.C30H29N5O3.C29H27F2N5O3/c1-35(2)34(46)43(30(24-13-26(37)16-27(38)14-24)20-42(35)19-22-7-4-3-5-8-22)21-31(44)40-28-11-10-23-17-36(18-25(23)15-28)29-9-6-12-39-32(29)41-33(36)45;1-29(2)28(44)41(24(14-40(29)16-31(34,35)36)18-8-20(32)11-21(33)9-18)15-25(42)38-22-6-5-17-12-30(13-19(17)10-22)23-4-3-7-37-26(23)39-27(30)43;2*37-26(19-36-25(20-7-2-1-3-8-20)18-33-31(29(36)39)12-4-5-13-31)34-23-11-10-21-16-30(17-22(21)15-23)24-9-6-14-32-27(24)35-28(30)38;1-34-17-24(19-6-3-2-4-7-19)35(28(38)30(34)11-12-30)18-25(36)32-22-10-9-20-15-29(16-21(20)14-22)23-8-5-13-31-26(23)33-27(29)37;1-28(2)27(39)36(23(14-33-28)17-8-19(30)11-20(31)9-17)15-24(37)34-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-32-25(22)35-26(29)38/h3-16,30H,17-21H2,1-2H3,(H,40,44)(H,39,41,45);3-11,24H,12-16H2,1-2H3,(H,38,42)(H,37,39,43);2*1-3,6-11,14-15,25,33H,4-5,12-13,16-19H2,(H,34,37)(H,32,35,38);2-10,13-14,24H,11-12,15-18H2,1H3,(H,32,36)(H,31,33,37);3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)
InChIKeyBCALQXAQZRLWQB-UHFFFAOYSA-N
MW3317.67 g/mol
LogP22.95
Rot. Bonds27

About 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)

2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) (PubChem CID 157302165) has the molecular formula C188H179F9N30O18 and a molecular weight of 3317.67 g/mol. Its IUPAC name is 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide).

Molecular Properties

Compound Name2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)
PubChem CID157302165
Molecular FormulaC188H179F9N30O18
Molecular Weight3317.67 g/mol
Exact Mass3315.39
IUPAC Name2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CN1CC(F)(F)F.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CN1Cc1ccccc1.CC1(C)NCC(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CC2.O=C(CN1C(=O)C2(CCCC2)NCC1c1ccccc1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NCC1c1ccccc1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C36H33F2N5O3.C31H28F5N5O3.2C31H31N5O3.C30H29N5O3.C29H27F2N5O3/c1-35(2)34(46)43(30(24-13-26(37)16-27(38)14-24)20-42(35)19-22-7-4-3-5-8-22)21-31(44)40-28-11-10-23-17-36(18-25(23)15-28)29-9-6-12-39-32(29)41-33(36)45;1-29(2)28(44)41(24(14-40(29)16-31(34,35)36)18-8-20(32)11-21(33)9-18)15-25(42)38-22-6-5-17-12-30(13-19(17)10-22)23-4-3-7-37-26(23)39-27(30)43;2*37-26(19-36-25(20-7-2-1-3-8-20)18-33-31(29(36)39)12-4-5-13-31)34-23-11-10-21-16-30(17-22(21)15-23)24-9-6-14-32-27(24)35-28(30)38;1-34-17-24(19-6-3-2-4-7-19)35(28(38)30(34)11-12-30)18-25(36)32-22-10-9-20-15-29(16-21(20)14-22)23-8-5-13-31-26(23)33-27(29)37;1-28(2)27(39)36(23(14-33-28)17-8-19(30)11-20(31)9-17)15-24(37)34-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-32-25(22)35-26(29)38/h3-16,30H,17-21H2,1-2H3,(H,40,44)(H,39,41,45);3-11,24H,12-16H2,1-2H3,(H,38,42)(H,37,39,43);2*1-3,6-11,14-15,25,33H,4-5,12-13,16-19H2,(H,34,37)(H,32,35,38);2-10,13-14,24H,11-12,15-18H2,1H3,(H,32,36)(H,31,33,37);3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)
InChIKeyBCALQXAQZRLWQB-UHFFFAOYSA-N
XLogP22.95
TPSA594.21 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms245
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003317.67
LogP ≤ 522.95
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
The IUPAC name of 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) (CID 157302165) is 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-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-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
The canonical SMILES for 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-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)CN1CC(F)(F)F.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(c2cc(F)cc(F)c2)CN1Cc1ccccc1.CC1(C)NCC(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CC2.O=C(CN1C(=O)C2(CCCC2)NCC1c1ccccc1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NCC1c1ccccc1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
The InChIKey is BCALQXAQZRLWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F2N5O3.C31H28F5N5O3.2C31H31N5O3.C30H29N5O3.C29H27F2N5O3/c1-35(2)34(46)43(30(24-13-26(37)16-27(38)14-24)20-42(35)19-22-7-4-3-5-8-22)21-31(44)40-28-11-10-23-17-36(18-25(23)15-28)29-9-6-12-39-32(29)41-33(36)45;1-29(2)28(44)41(24(14-40(29)16-31(34,35)36)18-8-20(32)11-21(33)9-18)15-25(42)38-22-6-5-17-12-30(13-19(17)10-22)23-4-3-7-37-26(23)39-27(30)43;2*37-26(19-36-25(20-7-2-1-3-8-20)18-33-31(29(36)39)12-4-5-13-31)34-23-11-10-21-16-30(17-22(21)15-23)24-9-6-14-32-27(24)35-28(30)38;1-34-17-24(19-6-3-2-4-7-19)35(28(38)30(34)11-12-30)18-25(36)32-22-10-9-20-15-29(16-21(20)14-22)23-8-5-13-31-26(23)33-27(29)37;1-28(2)27(39)36(23(14-33-28)17-8-19(30)11-20(31)9-17)15-24(37)34-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-32-25(22)35-26(29)38/h3-16,30H,17-21H2,1-2H3,(H,40,44)(H,39,41,45);3-11,24H,12-16H2,1-2H3,(H,38,42)(H,37,39,43);2*1-3,6-11,14-15,25,33H,4-5,12-13,16-19H2,(H,34,37)(H,32,35,38);2-10,13-14,24H,11-12,15-18H2,1H3,(H,32,36)(H,31,33,37);3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38).
What are the key properties of 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide)?
2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) has a molecular weight of 3317.67 g/mol, XLogP of 22.95, 27 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-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-2-oxopiperazin-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-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide) is sourced from PubChem (CID 157302165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).