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

C187H174F14N30O18 — CID 158499281

IUPAC2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-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)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CN1CC(F)(F)F.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CN1Cc1ccccc1.CC1(C)NC[C@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.O=C(CN1C(=O)C2(CCCC2)NC[C@@H]1c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)[C@@H](CC(F)(F)F)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C36H33F2N5O3.C31H28F5N5O3.2C31H31N5O3.C29H24F5N5O3.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;30-18-6-16(7-19(31)9-18)23-13-36-22(12-29(32,33)34)26(41)39(23)14-24(40)37-20-4-3-15-10-28(11-17(15)8-20)21-2-1-5-35-25(21)38-27(28)42;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);1-9,22-23,36H,10-14H2,(H,37,40)(H,35,38,42);3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)/t30-,36+;24-,30+;25-,30+;25-,30-;22-,23+,28-;23-,29-/m000111/s1
InChIKeyHJROYENOMUZXLN-LOCCIMAMSA-N
MW3395.61 g/mol
LogP23.67
Rot. Bonds28

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

2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 158499281) has the molecular formula C187H174F14N30O18 and a molecular weight of 3395.61 g/mol. Its IUPAC name is 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
PubChem CID158499281
Molecular FormulaC187H174F14N30O18
Molecular Weight3395.61 g/mol
Exact Mass3393.34
IUPAC Name2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-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)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CN1CC(F)(F)F.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CN1Cc1ccccc1.CC1(C)NC[C@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.O=C(CN1C(=O)C2(CCCC2)NC[C@@H]1c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)[C@@H](CC(F)(F)F)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C36H33F2N5O3.C31H28F5N5O3.2C31H31N5O3.C29H24F5N5O3.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;30-18-6-16(7-19(31)9-18)23-13-36-22(12-29(32,33)34)26(41)39(23)14-24(40)37-20-4-3-15-10-28(11-17(15)8-20)21-2-1-5-35-25(21)38-27(28)42;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);1-9,22-23,36H,10-14H2,(H,37,40)(H,35,38,42);3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)/t30-,36+;24-,30+;25-,30+;25-,30-;22-,23+,28-;23-,29-/m000111/s1
InChIKeyHJROYENOMUZXLN-LOCCIMAMSA-N
XLogP23.67
TPSA603.00 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003395.61
LogP ≤ 523.67
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Analyze 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-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-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The IUPAC name of 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 158499281) is 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.
What is the SMILES notation for 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The canonical SMILES for 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-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)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CN1CC(F)(F)F.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CN1Cc1ccccc1.CC1(C)NC[C@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.O=C(CN1C(=O)C2(CCCC2)NC[C@@H]1c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)[C@@H](CC(F)(F)F)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The InChIKey is HJROYENOMUZXLN-LOCCIMAMSA-N. The full InChI is InChI=1S/C36H33F2N5O3.C31H28F5N5O3.2C31H31N5O3.C29H24F5N5O3.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;30-18-6-16(7-19(31)9-18)23-13-36-22(12-29(32,33)34)26(41)39(23)14-24(40)37-20-4-3-15-10-28(11-17(15)8-20)21-2-1-5-35-25(21)38-27(28)42;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);1-9,22-23,36H,10-14H2,(H,37,40)(H,35,38,42);3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)/t30-,36+;24-,30+;25-,30+;25-,30-;22-,23+,28-;23-,29-/m000111/s1.
What are the key properties of 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 3395.61 g/mol, XLogP of 23.67, 28 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-4-benzyl-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-6-(3,5-difluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8S)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-10-oxo-8-phenyl-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 158499281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).