N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide

C154H169F13N30O20 — CID 158836052

IUPACN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1NC[C@H](c2cccc(F)c2F)CC[C@H]1NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1NC[C@H](c2ccccc2)CC[C@H]1NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12
InChIInChI=1S/C28H33F2N5O4.C27H31F2N5O4.C26H26F5N5O3.C25H27F2N5O3.C24H25F2N5O3.C24H27N5O3/c1-27(2,39)16-35-15-17(18-5-3-7-20(29)22(18)30)8-9-21(24(35)36)32-26(38)34-13-10-28(11-14-34)19-6-4-12-31-23(19)33-25(28)37;1-38-15-14-34-16-17(18-4-2-6-20(28)22(18)29)7-8-21(24(34)35)31-26(37)33-12-9-27(10-13-33)19-5-3-11-30-23(19)32-25(27)36;27-18-5-1-3-16(20(18)28)15-6-7-19(22(37)36(13-15)14-26(29,30)31)33-24(39)35-11-8-25(9-12-35)17-4-2-10-32-21(17)34-23(25)38;1-31-14-15(16-4-2-6-18(26)20(16)27)7-8-19(22(31)33)29-24(35)32-12-9-25(10-13-32)17-5-3-11-28-21(17)30-23(25)34;25-17-5-1-3-15(19(17)26)14-6-7-18(21(32)28-13-14)29-23(34)31-11-8-24(9-12-31)16-4-2-10-27-20(16)30-22(24)33;30-21-19(9-8-17(15-26-21)16-5-2-1-3-6-16)27-23(32)29-13-10-24(11-14-29)18-7-4-12-25-20(18)28-22(24)31/h3-7,12,17,21,39H,8-11,13-16H2,1-2H3,(H,32,38)(H,31,33,37);2-6,11,17,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,36);1-5,10,15,19H,6-9,11-14H2,(H,33,39)(H,32,34,38);2-6,11,15,19H,7-10,12-14H2,1H3,(H,29,35)(H,28,30,34);1-5,10,14,18H,6-9,11-13H2,(H,28,32)(H,29,34)(H,27,30,33);1-7,12,17,19H,8-11,13-15H2,(H,26,30)(H,27,32)(H,25,28,31)/t2*17-,21-;2*15-,19-;14-,18-;17-,19-/m111111/s1
InChIKeyIXQOYKIYYMGILC-GPOPXLOPSA-N
MW3007.21 g/mol
LogP16.69
Rot. Bonds18

About N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide

N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide (PubChem CID 158836052) has the molecular formula C154H169F13N30O20 and a molecular weight of 3007.21 g/mol. Its IUPAC name is N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide
PubChem CID158836052
Molecular FormulaC154H169F13N30O20
Molecular Weight3007.21 g/mol
Exact Mass3005.29
IUPAC NameN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1NC[C@H](c2cccc(F)c2F)CC[C@H]1NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1NC[C@H](c2ccccc2)CC[C@H]1NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12
InChIInChI=1S/C28H33F2N5O4.C27H31F2N5O4.C26H26F5N5O3.C25H27F2N5O3.C24H25F2N5O3.C24H27N5O3/c1-27(2,39)16-35-15-17(18-5-3-7-20(29)22(18)30)8-9-21(24(35)36)32-26(38)34-13-10-28(11-14-34)19-6-4-12-31-23(19)33-25(28)37;1-38-15-14-34-16-17(18-4-2-6-20(28)22(18)29)7-8-21(24(34)35)31-26(37)33-12-9-27(10-13-33)19-5-3-11-30-23(19)32-25(27)36;27-18-5-1-3-16(20(18)28)15-6-7-19(22(37)36(13-15)14-26(29,30)31)33-24(39)35-11-8-25(9-12-35)17-4-2-10-32-21(17)34-23(25)38;1-31-14-15(16-4-2-6-18(26)20(16)27)7-8-19(22(31)33)29-24(35)32-12-9-25(10-13-32)17-5-3-11-28-21(17)30-23(25)34;25-17-5-1-3-15(19(17)26)14-6-7-18(21(32)28-13-14)29-23(34)31-11-8-24(9-12-31)16-4-2-10-27-20(16)30-22(24)33;30-21-19(9-8-17(15-26-21)16-5-2-1-3-6-16)27-23(32)29-13-10-24(11-14-29)18-7-4-12-25-20(18)28-22(24)31/h3-7,12,17,21,39H,8-11,13-16H2,1-2H3,(H,32,38)(H,31,33,37);2-6,11,17,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,36);1-5,10,15,19H,6-9,11-14H2,(H,33,39)(H,32,34,38);2-6,11,15,19H,7-10,12-14H2,1H3,(H,29,35)(H,28,30,34);1-5,10,14,18H,6-9,11-13H2,(H,28,32)(H,29,34)(H,27,30,33);1-7,12,17,19H,8-11,13-15H2,(H,26,30)(H,27,32)(H,25,28,31)/t2*17-,21-;2*15-,19-;14-,18-;17-,19-/m111111/s1
InChIKeyIXQOYKIYYMGILC-GPOPXLOPSA-N
XLogP16.69
TPSA614.88 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003007.21
LogP ≤ 516.69
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide (CID 158836052) is N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide is CC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC3(CC2)C(=O)Nc2ncccc23)C1=O.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1NC[C@H](c2cccc(F)c2F)CC[C@H]1NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C1NC[C@H](c2ccccc2)CC[C@H]1NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12.
What is the InChIKey of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?
The InChIKey is IXQOYKIYYMGILC-GPOPXLOPSA-N. The full InChI is InChI=1S/C28H33F2N5O4.C27H31F2N5O4.C26H26F5N5O3.C25H27F2N5O3.C24H25F2N5O3.C24H27N5O3/c1-27(2,39)16-35-15-17(18-5-3-7-20(29)22(18)30)8-9-21(24(35)36)32-26(38)34-13-10-28(11-14-34)19-6-4-12-31-23(19)33-25(28)37;1-38-15-14-34-16-17(18-4-2-6-20(28)22(18)29)7-8-21(24(34)35)31-26(37)33-12-9-27(10-13-33)19-5-3-11-30-23(19)32-25(27)36;27-18-5-1-3-16(20(18)28)15-6-7-19(22(37)36(13-15)14-26(29,30)31)33-24(39)35-11-8-25(9-12-35)17-4-2-10-32-21(17)34-23(25)38;1-31-14-15(16-4-2-6-18(26)20(16)27)7-8-19(22(31)33)29-24(35)32-12-9-25(10-13-32)17-5-3-11-28-21(17)30-23(25)34;25-17-5-1-3-15(19(17)26)14-6-7-18(21(32)28-13-14)29-23(34)31-11-8-24(9-12-31)16-4-2-10-27-20(16)30-22(24)33;30-21-19(9-8-17(15-26-21)16-5-2-1-3-6-16)27-23(32)29-13-10-24(11-14-29)18-7-4-12-25-20(18)28-22(24)31/h3-7,12,17,21,39H,8-11,13-16H2,1-2H3,(H,32,38)(H,31,33,37);2-6,11,17,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,36);1-5,10,15,19H,6-9,11-14H2,(H,33,39)(H,32,34,38);2-6,11,15,19H,7-10,12-14H2,1H3,(H,29,35)(H,28,30,34);1-5,10,14,18H,6-9,11-13H2,(H,28,32)(H,29,34)(H,27,30,33);1-7,12,17,19H,8-11,13-15H2,(H,26,30)(H,27,32)(H,25,28,31)/t2*17-,21-;2*15-,19-;14-,18-;17-,19-/m111111/s1.
What are the key properties of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide?
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide has a molecular weight of 3007.21 g/mol, XLogP of 16.69, 18 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;2-oxo-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 158836052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).