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

C181H178F2N30O20S — CID 158855281

IUPAC2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-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)CN1S(C)(=O)=O.CN1C[C@H](c2ccccc2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)[C@H]1Cc1ccccc1.C[C@@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@@H](c2ccccc2)CN1C.C[C@@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2ccccc2)CN1C.C[C@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@@H](c2ccccc2)CN1C.C[C@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2ccccc2)CN1C
InChIInChI=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)/t29-,30-,35-;24-,30+;18-,24+,29+;18-,24+,29-;18-,24-,29+;18-,24-,29-/m100101/s1
InChIKeyIZYWHSJHWQUDIL-WEXWTPAYSA-N
MW3163.67 g/mol
LogP18.70
Rot. Bonds27

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

2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 158855281) has the molecular formula C181H178F2N30O20S and a molecular weight of 3163.67 g/mol. Its IUPAC name is 2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
PubChem CID158855281
Molecular FormulaC181H178F2N30O20S
Molecular Weight3163.67 g/mol
Exact Mass3161.35
IUPAC Name2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-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)CN1S(C)(=O)=O.CN1C[C@H](c2ccccc2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)[C@H]1Cc1ccccc1.C[C@@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@@H](c2ccccc2)CN1C.C[C@@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2ccccc2)CN1C.C[C@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@@H](c2ccccc2)CN1C.C[C@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2ccccc2)CN1C
InChIInChI=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)/t29-,30-,35-;24-,30+;18-,24+,29+;18-,24+,29-;18-,24-,29+;18-,24-,29-/m100101/s1
InChIKeyIZYWHSJHWQUDIL-WEXWTPAYSA-N
XLogP18.70
TPSA601.98 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003163.67
LogP ≤ 518.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-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-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The IUPAC name of 2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 158855281) is 2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-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-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The canonical SMILES for 2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-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)CN1S(C)(=O)=O.CN1C[C@H](c2ccccc2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)[C@H]1Cc1ccccc1.C[C@@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@@H](c2ccccc2)CN1C.C[C@@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2ccccc2)CN1C.C[C@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@@H](c2ccccc2)CN1C.C[C@H]1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2ccccc2)CN1C.
What is the InChIKey of 2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The InChIKey is IZYWHSJHWQUDIL-WEXWTPAYSA-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)/t29-,30-,35-;24-,30+;18-,24+,29+;18-,24+,29-;18-,24-,29+;18-,24-,29-/m100101/s1.
What are the key properties of 2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
2-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-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-[(3R,6S)-3-benzyl-4-methyl-2-oxo-6-phenylpiperazin-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-4-methylsulfonyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6S)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3S,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(3R,6R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 158855281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).