2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C184H170F12N24O24 — CID 158595741

IUPAC2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCC1(C)C(=O)C[C@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CC1(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)CC12OCCO2.CCC1(CC)C(=O)C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CCC1(CC)OC[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CC[C@H]1OC[C@@H](c2ccccc2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O
InChIInChI=1S/C32H30F2N4O5.C32H30F2N4O4.C31H30F2N4O4.C30H26F4N4O3.C30H26F2N4O4.C29H28N4O4/c1-30(2)29(41)38(25(16-32(30)42-8-9-43-32)19-10-21(33)13-22(34)11-19)17-26(39)36-23-6-5-18-14-31(15-20(18)12-23)24-4-3-7-35-27(24)37-28(31)40;1-3-31(4-2)26(39)14-25(19-10-21(33)13-22(34)11-19)38(30(31)42)17-27(40)36-23-8-7-18-15-32(16-20(18)12-23)24-6-5-9-35-28(24)37-29(32)41;1-3-31(4-2)29(40)37(25(17-41-31)19-10-21(32)13-22(33)11-19)16-26(38)35-23-8-7-18-14-30(15-20(18)12-23)24-6-5-9-34-27(24)36-28(30)39;1-28(2)27(41)38(23(14-30(28,33)34)17-8-19(31)11-20(32)9-17)15-24(39)36-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-35-25(22)37-26(29)40;1-29(2)24(37)12-23(17-8-19(31)11-20(32)9-17)36(28(29)40)15-25(38)34-21-6-5-16-13-30(14-18(16)10-21)22-4-3-7-33-26(22)35-27(30)39;1-2-24-27(35)33(23(17-37-24)18-7-4-3-5-8-18)16-25(34)31-21-11-10-19-14-29(15-20(19)13-21)22-9-6-12-30-26(22)32-28(29)36/h3-7,10-13,25H,8-9,14-17H2,1-2H3,(H,36,39)(H,35,37,40);5-13,25H,3-4,14-17H2,1-2H3,(H,36,40)(H,35,37,41);5-13,25H,3-4,14-17H2,1-2H3,(H,35,38)(H,34,36,39);3-11,23H,12-15H2,1-2H3,(H,36,39)(H,35,37,40);3-11,23H,12-15H2,1-2H3,(H,34,38)(H,33,35,39);3-13,23-24H,2,14-17H2,1H3,(H,31,34)(H,30,32,36)/t25-,31+;25-,32+;25-,30+;23-,29+;23-,30-;23-,24+,29+/m000010/s1
InChIKeyHUZUOUFALAIFNA-XKFJPHQNSA-N
MW3329.50 g/mol
LogP25.28
Rot. Bonds29

About 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-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-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 158595741) has the molecular formula C184H170F12N24O24 and a molecular weight of 3329.50 g/mol. Its IUPAC name is 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
PubChem CID158595741
Molecular FormulaC184H170F12N24O24
Molecular Weight3329.50 g/mol
Exact Mass3327.26
IUPAC Name2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCC1(C)C(=O)C[C@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CC1(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)CC12OCCO2.CCC1(CC)C(=O)C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CCC1(CC)OC[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CC[C@H]1OC[C@@H](c2ccccc2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O
InChIInChI=1S/C32H30F2N4O5.C32H30F2N4O4.C31H30F2N4O4.C30H26F4N4O3.C30H26F2N4O4.C29H28N4O4/c1-30(2)29(41)38(25(16-32(30)42-8-9-43-32)19-10-21(33)13-22(34)11-19)17-26(39)36-23-6-5-18-14-31(15-20(18)12-23)24-4-3-7-35-27(24)37-28(31)40;1-3-31(4-2)26(39)14-25(19-10-21(33)13-22(34)11-19)38(30(31)42)17-27(40)36-23-8-7-18-15-32(16-20(18)12-23)24-6-5-9-35-28(24)37-29(32)41;1-3-31(4-2)29(40)37(25(17-41-31)19-10-21(32)13-22(33)11-19)16-26(38)35-23-8-7-18-14-30(15-20(18)12-23)24-6-5-9-34-27(24)36-28(30)39;1-28(2)27(41)38(23(14-30(28,33)34)17-8-19(31)11-20(32)9-17)15-24(39)36-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-35-25(22)37-26(29)40;1-29(2)24(37)12-23(17-8-19(31)11-20(32)9-17)36(28(29)40)15-25(38)34-21-6-5-16-13-30(14-18(16)10-21)22-4-3-7-33-26(22)35-27(30)39;1-2-24-27(35)33(23(17-37-24)18-7-4-3-5-8-18)16-25(34)31-21-11-10-19-14-29(15-20(19)13-21)22-9-6-12-30-26(22)32-28(29)36/h3-7,10-13,25H,8-9,14-17H2,1-2H3,(H,36,39)(H,35,37,40);5-13,25H,3-4,14-17H2,1-2H3,(H,36,40)(H,35,37,41);5-13,25H,3-4,14-17H2,1-2H3,(H,35,38)(H,34,36,39);3-11,23H,12-15H2,1-2H3,(H,36,39)(H,35,37,40);3-11,23H,12-15H2,1-2H3,(H,34,38)(H,33,35,39);3-13,23-24H,2,14-17H2,1H3,(H,31,34)(H,30,32,36)/t25-,31+;25-,32+;25-,30+;23-,29+;23-,30-;23-,24+,29+/m000010/s1
InChIKeyHUZUOUFALAIFNA-XKFJPHQNSA-N
XLogP25.28
TPSA619.46 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003329.50
LogP ≤ 525.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The IUPAC name of 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 158595741) is 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-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-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The canonical SMILES for 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is CC1(C)C(=O)C[C@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CC1(C)C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CC1(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)CC12OCCO2.CCC1(CC)C(=O)C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CCC1(CC)OC[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.CC[C@H]1OC[C@@H](c2ccccc2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.
What is the InChIKey of 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The InChIKey is HUZUOUFALAIFNA-XKFJPHQNSA-N. The full InChI is InChI=1S/C32H30F2N4O5.C32H30F2N4O4.C31H30F2N4O4.C30H26F4N4O3.C30H26F2N4O4.C29H28N4O4/c1-30(2)29(41)38(25(16-32(30)42-8-9-43-32)19-10-21(33)13-22(34)11-19)17-26(39)36-23-6-5-18-14-31(15-20(18)12-23)24-4-3-7-35-27(24)37-28(31)40;1-3-31(4-2)26(39)14-25(19-10-21(33)13-22(34)11-19)38(30(31)42)17-27(40)36-23-8-7-18-15-32(16-20(18)12-23)24-6-5-9-35-28(24)37-29(32)41;1-3-31(4-2)29(40)37(25(17-41-31)19-10-21(32)13-22(33)11-19)16-26(38)35-23-8-7-18-14-30(15-20(18)12-23)24-6-5-9-34-27(24)36-28(30)39;1-28(2)27(41)38(23(14-30(28,33)34)17-8-19(31)11-20(32)9-17)15-24(39)36-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-35-25(22)37-26(29)40;1-29(2)24(37)12-23(17-8-19(31)11-20(32)9-17)36(28(29)40)15-25(38)34-21-6-5-16-13-30(14-18(16)10-21)22-4-3-7-33-26(22)35-27(30)39;1-2-24-27(35)33(23(17-37-24)18-7-4-3-5-8-18)16-25(34)31-21-11-10-19-14-29(15-20(19)13-21)22-9-6-12-30-26(22)32-28(29)36/h3-7,10-13,25H,8-9,14-17H2,1-2H3,(H,36,39)(H,35,37,40);5-13,25H,3-4,14-17H2,1-2H3,(H,36,40)(H,35,37,41);5-13,25H,3-4,14-17H2,1-2H3,(H,35,38)(H,34,36,39);3-11,23H,12-15H2,1-2H3,(H,36,39)(H,35,37,40);3-11,23H,12-15H2,1-2H3,(H,34,38)(H,33,35,39);3-13,23-24H,2,14-17H2,1H3,(H,31,34)(H,30,32,36)/t25-,31+;25-,32+;25-,30+;23-,29+;23-,30-;23-,24+,29+/m000010/s1.
What are the key properties of 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-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-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 3329.50 g/mol, XLogP of 25.28, 29 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-6-(3,5-difluorophenyl)-3,3-diethyl-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R)-5-(3,5-difluorophenyl)-2,2-diethyl-3-oxomorpholin-4-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)-4,4-difluoro-3,3-dimethyl-2-oxopiperidin-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-2,4-dioxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(9S)-9-(3,5-difluorophenyl)-6,6-dimethyl-7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(2R,5R)-2-ethyl-3-oxo-5-phenylmorpholin-4-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 158595741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).