2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C180H152F17N29O26 — CID 160962661

IUPAC2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCCN1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(C)(c2cc(F)cc(F)c2)C1=O.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCOc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C1CC2(Cc3ccc(NC(=O)CN4C(=O)N(CC(F)(F)F)C(=O)C45CCCc4ccccc45)cc3C2)C(=O)N1
InChIInChI=1S/C32H28F3N5O4.C31H26F3N5O4.C30H24F3N5O5.C30H24F3N5O4.C29H25F2N5O4.C28H25F3N4O5/c33-32(34,35)18-39-28(43)31(12-4-3-7-19-6-1-2-8-23(19)31)40(29(39)44)17-25(41)37-22-11-10-20-15-30(16-21(20)14-22)24-9-5-13-36-26(24)38-27(30)42;32-31(33,34)17-38-27(42)30(11-3-6-18-5-1-2-7-22(18)30)39(28(38)43)16-24(40)36-21-10-9-19-14-29(15-20(19)13-21)23-8-4-12-35-25(23)37-26(29)41;31-30(32,33)16-37-26(41)29(9-11-43-22-6-2-1-4-20(22)29)38(27(37)42)15-23(39)35-19-8-7-17-13-28(14-18(17)12-19)21-5-3-10-34-24(21)36-25(28)40;31-30(32,33)16-37-26(41)29(10-9-17-4-1-2-5-21(17)29)38(27(37)42)15-23(39)35-20-8-7-18-13-28(14-19(18)12-20)22-6-3-11-34-24(22)36-25(28)40;1-3-35-26(39)28(2,18-10-19(30)12-20(31)11-18)36(27(35)40)15-23(37)33-21-7-6-16-13-29(14-17(16)9-21)22-5-4-8-32-24(22)34-25(29)38;29-28(30,31)15-34-24(39)27(9-3-5-16-4-1-2-6-20(16)27)35(25(34)40)14-22(37)32-19-8-7-17-11-26(12-18(17)10-19)13-21(36)33-23(26)38/h1-2,5-6,8-11,13-14H,3-4,7,12,15-18H2,(H,37,41)(H,36,38,42);1-2,4-5,7-10,12-13H,3,6,11,14-17H2,(H,36,40)(H,35,37,41);1-8,10,12H,9,11,13-16H2,(H,35,39)(H,34,36,40);1-8,11-12H,9-10,13-16H2,(H,35,39)(H,34,36,40);4-12H,3,13-15H2,1-2H3,(H,33,37)(H,32,34,38);1-2,4,6-8,10H,3,5,9,11-15H2,(H,32,37)(H,33,36,38)/t30-,31?;29-,30?;2*28-,29?;28?,29-;/m11111./s1
InChIKeySXEZEVVXJMSTTI-KNCXNURRSA-N
MW3460.34 g/mol
LogP22.02
Rot. Bonds25

About 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 160962661) has the molecular formula C180H152F17N29O26 and a molecular weight of 3460.34 g/mol. Its IUPAC name is 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
PubChem CID160962661
Molecular FormulaC180H152F17N29O26
Molecular Weight3460.34 g/mol
Exact Mass3458.12
IUPAC Name2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCCN1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(C)(c2cc(F)cc(F)c2)C1=O.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCOc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C1CC2(Cc3ccc(NC(=O)CN4C(=O)N(CC(F)(F)F)C(=O)C45CCCc4ccccc45)cc3C2)C(=O)N1
InChIInChI=1S/C32H28F3N5O4.C31H26F3N5O4.C30H24F3N5O5.C30H24F3N5O4.C29H25F2N5O4.C28H25F3N4O5/c33-32(34,35)18-39-28(43)31(12-4-3-7-19-6-1-2-8-23(19)31)40(29(39)44)17-25(41)37-22-11-10-20-15-30(16-21(20)14-22)24-9-5-13-36-26(24)38-27(30)42;32-31(33,34)17-38-27(42)30(11-3-6-18-5-1-2-7-22(18)30)39(28(38)43)16-24(40)36-21-10-9-19-14-29(15-20(19)13-21)23-8-4-12-35-25(23)37-26(29)41;31-30(32,33)16-37-26(41)29(9-11-43-22-6-2-1-4-20(22)29)38(27(37)42)15-23(39)35-19-8-7-17-13-28(14-18(17)12-19)21-5-3-10-34-24(21)36-25(28)40;31-30(32,33)16-37-26(41)29(10-9-17-4-1-2-5-21(17)29)38(27(37)42)15-23(39)35-20-8-7-18-13-28(14-19(18)12-20)22-6-3-11-34-24(22)36-25(28)40;1-3-35-26(39)28(2,18-10-19(30)12-20(31)11-18)36(27(35)40)15-23(37)33-21-7-6-16-13-29(14-17(16)9-21)22-5-4-8-32-24(22)34-25(29)38;29-28(30,31)15-34-24(39)27(9-3-5-16-4-1-2-6-20(16)27)35(25(34)40)14-22(37)32-19-8-7-17-11-26(12-18(17)10-19)13-21(36)33-23(26)38/h1-2,5-6,8-11,13-14H,3-4,7,12,15-18H2,(H,37,41)(H,36,38,42);1-2,4-5,7-10,12-13H,3,6,11,14-17H2,(H,36,40)(H,35,37,41);1-8,10,12H,9,11,13-16H2,(H,35,39)(H,34,36,40);1-8,11-12H,9-10,13-16H2,(H,35,39)(H,34,36,40);4-12H,3,13-15H2,1-2H3,(H,33,37)(H,32,34,38);1-2,4,6-8,10H,3,5,9,11-15H2,(H,32,37)(H,33,36,38)/t30-,31?;29-,30?;2*28-,29?;28?,29-;/m11111./s1
InChIKeySXEZEVVXJMSTTI-KNCXNURRSA-N
XLogP22.02
TPSA683.67 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003460.34
LogP ≤ 522.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-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-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 160962661) is 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-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-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-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-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is CCN1C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(C)(c2cc(F)cc(F)c2)C1=O.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCOc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C1CC2(Cc3ccc(NC(=O)CN4C(=O)N(CC(F)(F)F)C(=O)C45CCCc4ccccc45)cc3C2)C(=O)N1.
What is the InChIKey of 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The InChIKey is SXEZEVVXJMSTTI-KNCXNURRSA-N. The full InChI is InChI=1S/C32H28F3N5O4.C31H26F3N5O4.C30H24F3N5O5.C30H24F3N5O4.C29H25F2N5O4.C28H25F3N4O5/c33-32(34,35)18-39-28(43)31(12-4-3-7-19-6-1-2-8-23(19)31)40(29(39)44)17-25(41)37-22-11-10-20-15-30(16-21(20)14-22)24-9-5-13-36-26(24)38-27(30)42;32-31(33,34)17-38-27(42)30(11-3-6-18-5-1-2-7-22(18)30)39(28(38)43)16-24(40)36-21-10-9-19-14-29(15-20(19)13-21)23-8-4-12-35-25(23)37-26(29)41;31-30(32,33)16-37-26(41)29(9-11-43-22-6-2-1-4-20(22)29)38(27(37)42)15-23(39)35-19-8-7-17-13-28(14-18(17)12-19)21-5-3-10-34-24(21)36-25(28)40;31-30(32,33)16-37-26(41)29(10-9-17-4-1-2-5-21(17)29)38(27(37)42)15-23(39)35-20-8-7-18-13-28(14-19(18)12-20)22-6-3-11-34-24(22)36-25(28)40;1-3-35-26(39)28(2,18-10-19(30)12-20(31)11-18)36(27(35)40)15-23(37)33-21-7-6-16-13-29(14-17(16)9-21)22-5-4-8-32-24(22)34-25(29)38;29-28(30,31)15-34-24(39)27(9-3-5-16-4-1-2-6-20(16)27)35(25(34)40)14-22(37)32-19-8-7-17-11-26(12-18(17)10-19)13-21(36)33-23(26)38/h1-2,5-6,8-11,13-14H,3-4,7,12,15-18H2,(H,37,41)(H,36,38,42);1-2,4-5,7-10,12-13H,3,6,11,14-17H2,(H,36,40)(H,35,37,41);1-8,10,12H,9,11,13-16H2,(H,35,39)(H,34,36,40);1-8,11-12H,9-10,13-16H2,(H,35,39)(H,34,36,40);4-12H,3,13-15H2,1-2H3,(H,33,37)(H,32,34,38);1-2,4,6-8,10H,3,5,9,11-15H2,(H,32,37)(H,33,36,38)/t30-,31?;29-,30?;2*28-,29?;28?,29-;/m11111./s1.
What are the key properties of 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-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 3460.34 g/mol, XLogP of 22.02, 25 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-difluorophenyl)-3-ethyl-5-methyl-2,4-dioxoimidazolidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-1'-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[2',4'-dioxo-3'-(2,2,2-trifluoroethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-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 160962661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).