N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C160H167F9N20O18 — CID 158881411

IUPACN-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCC(C)(O)CN1CC(c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CCC2(CCNC2=O)C3)C1=O.CN1CC(c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CCC2(CCNC2=O)C3)C1=O.CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC3(CCNC3=O)C4)cc2)C1=O.O=C(NC1CCC(c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCC1C(=O)Nc2ccccc21)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCc1nc2ccccc2n1-c1ccccc1)c1ccc2c(c1)CCC1(CCNC1=O)C2
InChIInChI=1S/C30H35F2N3O4.C28H28F5N3O3.C28H26N4O2.C27H29F2N3O3.C24H26N4O3.C23H23N3O3/c1-29(2,39)17-35-16-21(22-4-3-5-23(31)25(22)32)8-9-24(27(35)37)34-26(36)19-6-7-20-15-30(11-10-18(20)14-19)12-13-33-28(30)38;29-21-3-1-2-20(23(21)30)19-6-7-22(25(38)36(14-19)15-28(31,32)33)35-24(37)17-4-5-18-13-27(9-8-16(18)12-17)10-11-34-26(27)39;33-26(20-10-11-21-17-28(13-12-19(21)16-20)14-15-29-27(28)34)30-18-25-31-23-8-4-5-9-24(23)32(25)22-6-2-1-3-7-22;1-32-15-19(20-3-2-4-21(28)23(20)29)7-8-22(25(32)34)31-24(33)17-5-6-18-14-27(10-9-16(18)13-17)11-12-30-26(27)35;1-27-12-13-28(23(27)31)20-6-4-19(5-7-20)26-21(29)17-2-3-18-15-24(9-8-16(18)14-17)10-11-25-22(24)30;27-20(25-13-18-17-3-1-2-4-19(17)26-21(18)28)15-5-6-16-12-23(8-7-14(16)11-15)9-10-24-22(23)29/h3-7,14,21,24,39H,8-13,15-17H2,1-2H3,(H,33,38)(H,34,36);1-5,12,19,22H,6-11,13-15H2,(H,34,39)(H,35,37);1-11,16H,12-15,17-18H2,(H,29,34)(H,30,33);2-6,13,19,22H,7-12,14-15H2,1H3,(H,30,35)(H,31,33);2-7,14H,8-13,15H2,1H3,(H,25,30)(H,26,29);1-6,11,18H,7-10,12-13H2,(H,24,29)(H,25,27)(H,26,28)
InChIKeyJDBJTFGANISVQS-UHFFFAOYSA-N
MW2829.20 g/mol
LogP19.26
Rot. Bonds22

About N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 158881411) has the molecular formula C160H167F9N20O18 and a molecular weight of 2829.20 g/mol. Its IUPAC name is N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID158881411
Molecular FormulaC160H167F9N20O18
Molecular Weight2829.20 g/mol
Exact Mass2827.26
IUPAC NameN-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCC(C)(O)CN1CC(c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CCC2(CCNC2=O)C3)C1=O.CN1CC(c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CCC2(CCNC2=O)C3)C1=O.CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC3(CCNC3=O)C4)cc2)C1=O.O=C(NC1CCC(c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCC1C(=O)Nc2ccccc21)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCc1nc2ccccc2n1-c1ccccc1)c1ccc2c(c1)CCC1(CCNC1=O)C2
InChIInChI=1S/C30H35F2N3O4.C28H28F5N3O3.C28H26N4O2.C27H29F2N3O3.C24H26N4O3.C23H23N3O3/c1-29(2,39)17-35-16-21(22-4-3-5-23(31)25(22)32)8-9-24(27(35)37)34-26(36)19-6-7-20-15-30(11-10-18(20)14-19)12-13-33-28(30)38;29-21-3-1-2-20(23(21)30)19-6-7-22(25(38)36(14-19)15-28(31,32)33)35-24(37)17-4-5-18-13-27(9-8-16(18)12-17)10-11-34-26(27)39;33-26(20-10-11-21-17-28(13-12-19(21)16-20)14-15-29-27(28)34)30-18-25-31-23-8-4-5-9-24(23)32(25)22-6-2-1-3-7-22;1-32-15-19(20-3-2-4-21(28)23(20)29)7-8-22(25(32)34)31-24(33)17-5-6-18-14-27(10-9-16(18)13-17)11-12-30-26(27)35;1-27-12-13-28(23(27)31)20-6-4-19(5-7-20)26-21(29)17-2-3-18-15-24(9-8-16(18)14-17)10-11-25-22(24)30;27-20(25-13-18-17-3-1-2-4-19(17)26-21(18)28)15-5-6-16-12-23(8-7-14(16)11-15)9-10-24-22(23)29/h3-7,14,21,24,39H,8-13,15-17H2,1-2H3,(H,33,38)(H,34,36);1-5,12,19,22H,6-11,13-15H2,(H,34,39)(H,35,37);1-11,16H,12-15,17-18H2,(H,29,34)(H,30,33);2-6,13,19,22H,7-12,14-15H2,1H3,(H,30,35)(H,31,33);2-7,14H,8-13,15H2,1H3,(H,25,30)(H,26,29);1-6,11,18H,7-10,12-13H2,(H,24,29)(H,25,27)(H,26,28)
InChIKeyJDBJTFGANISVQS-UHFFFAOYSA-N
XLogP19.26
TPSA500.83 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002829.20
LogP ≤ 519.26
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Analyze N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide with MolForge

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Related Compounds

N-[(6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[(6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[(6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 157227539
2-(3-acetamidopyrrolidin-1-yl)-7-[(2S)-butan-2-yl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-(benzylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-(4-benzylpiperidin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-2-[3-(dimethylamino)propylamino]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
CID 162069300
(11S)-2-[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;(11S)-11-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 91204360
2-[4-(2,5-Dihydropyrrol-1-ylmethyl)phenyl]-6-fluoro-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-[[2-(3-methylphenyl)ethylamino]methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 158839323
bis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)
CID 159132892
3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 165056223

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 158881411) is N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is CC(C)(O)CN1CC(c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CCC2(CCNC2=O)C3)C1=O.CN1CC(c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CCC2(CCNC2=O)C3)C1=O.CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC3(CCNC3=O)C4)cc2)C1=O.O=C(NC1CCC(c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCC1C(=O)Nc2ccccc21)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCc1nc2ccccc2n1-c1ccccc1)c1ccc2c(c1)CCC1(CCNC1=O)C2.
What is the InChIKey of N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is JDBJTFGANISVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N3O4.C28H28F5N3O3.C28H26N4O2.C27H29F2N3O3.C24H26N4O3.C23H23N3O3/c1-29(2,39)17-35-16-21(22-4-3-5-23(31)25(22)32)8-9-24(27(35)37)34-26(36)19-6-7-20-15-30(11-10-18(20)14-19)12-13-33-28(30)38;29-21-3-1-2-20(23(21)30)19-6-7-22(25(38)36(14-19)15-28(31,32)33)35-24(37)17-4-5-18-13-27(9-8-16(18)12-17)10-11-34-26(27)39;33-26(20-10-11-21-17-28(13-12-19(21)16-20)14-15-29-27(28)34)30-18-25-31-23-8-4-5-9-24(23)32(25)22-6-2-1-3-7-22;1-32-15-19(20-3-2-4-21(28)23(20)29)7-8-22(25(32)34)31-24(33)17-5-6-18-14-27(10-9-16(18)13-17)11-12-30-26(27)35;1-27-12-13-28(23(27)31)20-6-4-19(5-7-20)26-21(29)17-2-3-18-15-24(9-8-16(18)14-17)10-11-25-22(24)30;27-20(25-13-18-17-3-1-2-4-19(17)26-21(18)28)15-5-6-16-12-23(8-7-14(16)11-15)9-10-24-22(23)29/h3-7,14,21,24,39H,8-13,15-17H2,1-2H3,(H,33,38)(H,34,36);1-5,12,19,22H,6-11,13-15H2,(H,34,39)(H,35,37);1-11,16H,12-15,17-18H2,(H,29,34)(H,30,33);2-6,13,19,22H,7-12,14-15H2,1H3,(H,30,35)(H,31,33);2-7,14H,8-13,15H2,1H3,(H,25,30)(H,26,29);1-6,11,18H,7-10,12-13H2,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 2829.20 g/mol, XLogP of 19.26, 22 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[(1-phenylbenzimidazol-2-yl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 158881411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).