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

C173H152F9N25O17 — CID 157227539

IUPACN-[(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
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1C[C@H](c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.O=C(NC1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCC1C(=O)Nc2ccccc21)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCCN1CCc2ccccc2C1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCc1nc2ccccc2n1-c1ccccc1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C32H32F2N4O4.C30H25F5N4O3.C30H23N5O2.C29H26F2N4O3.C27H26N4O2.C25H20N4O3/c1-31(2,42)17-38-16-20(22-5-3-7-24(33)26(22)34)10-11-25(29(38)40)36-28(39)18-8-9-19-14-32(15-21(19)13-18)23-6-4-12-35-27(23)37-30(32)41;31-22-5-1-3-20(24(22)32)18-8-9-23(27(41)39(14-18)15-30(33,34)35)37-26(40)16-6-7-17-12-29(13-19(17)11-16)21-4-2-10-36-25(21)38-28(29)42;36-28(32-18-26-33-24-10-4-5-11-25(24)35(26)22-7-2-1-3-8-22)19-12-13-20-16-30(17-21(20)15-19)23-9-6-14-31-27(23)34-29(30)37;1-35-15-18(20-4-2-6-22(30)24(20)31)9-10-23(27(35)37)33-26(36)16-7-8-17-13-29(14-19(17)12-16)21-5-3-11-32-25(21)34-28(29)38;32-25(29-11-13-31-12-9-18-4-1-2-5-21(18)17-31)19-7-8-20-15-27(16-22(20)14-19)23-6-3-10-28-24(23)30-26(27)33;30-22(27-13-18-17-4-1-2-6-20(17)28-23(18)31)14-7-8-15-11-25(12-16(15)10-14)19-5-3-9-26-21(19)29-24(25)32/h3-9,12-13,20,25,42H,10-11,14-17H2,1-2H3,(H,36,39)(H,35,37,41);1-7,10-11,18,23H,8-9,12-15H2,(H,37,40)(H,36,38,42);1-15H,16-18H2,(H,32,36)(H,31,34,37);2-8,11-12,18,23H,9-10,13-15H2,1H3,(H,33,36)(H,32,34,38);1-8,10,14H,9,11-13,15-17H2,(H,29,32)(H,28,30,33);1-10,18H,11-13H2,(H,27,30)(H,28,31)(H,26,29,32)/t20-,25?,32?;18-,23?,29?;;18-,23?,29?;;/m11.1../s1
InChIKeyATSCHWHMRSFMTL-QWDWMUDXSA-N
MW3024.26 g/mol
LogP21.26
Rot. Bonds23

About 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

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 (PubChem CID 157227539) has the molecular formula C173H152F9N25O17 and a molecular weight of 3024.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID157227539
Molecular FormulaC173H152F9N25O17
Molecular Weight3024.26 g/mol
Exact Mass3022.17
IUPAC NameN-[(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
SMILESCC(C)(O)CN1C[C@H](c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1C[C@H](c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.O=C(NC1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCC1C(=O)Nc2ccccc21)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCCN1CCc2ccccc2C1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCc1nc2ccccc2n1-c1ccccc1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C32H32F2N4O4.C30H25F5N4O3.C30H23N5O2.C29H26F2N4O3.C27H26N4O2.C25H20N4O3/c1-31(2,42)17-38-16-20(22-5-3-7-24(33)26(22)34)10-11-25(29(38)40)36-28(39)18-8-9-19-14-32(15-21(19)13-18)23-6-4-12-35-27(23)37-30(32)41;31-22-5-1-3-20(24(22)32)18-8-9-23(27(41)39(14-18)15-30(33,34)35)37-26(40)16-6-7-17-12-29(13-19(17)11-16)21-4-2-10-36-25(21)38-28(29)42;36-28(32-18-26-33-24-10-4-5-11-25(24)35(26)22-7-2-1-3-8-22)19-12-13-20-16-30(17-21(20)15-19)23-9-6-14-31-27(23)34-29(30)37;1-35-15-18(20-4-2-6-22(30)24(20)31)9-10-23(27(35)37)33-26(36)16-7-8-17-13-29(14-19(17)12-16)21-5-3-11-32-25(21)34-28(29)38;32-25(29-11-13-31-12-9-18-4-1-2-5-21(18)17-31)19-7-8-20-15-27(16-22(20)14-19)23-6-3-10-28-24(23)30-26(27)33;30-22(27-13-18-17-4-1-2-6-20(17)28-23(18)31)14-7-8-15-11-25(12-16(15)10-14)19-5-3-9-26-21(19)29-24(25)32/h3-9,12-13,20,25,42H,10-11,14-17H2,1-2H3,(H,36,39)(H,35,37,41);1-7,10-11,18,23H,8-9,12-15H2,(H,37,40)(H,36,38,42);1-15H,16-18H2,(H,32,36)(H,31,34,37);2-8,11-12,18,23H,9-10,13-15H2,1H3,(H,33,36)(H,32,34,38);1-8,10,14H,9,11-13,15-17H2,(H,29,32)(H,28,30,33);1-10,18H,11-13H2,(H,27,30)(H,28,31)(H,26,29,32)/t20-,25?,32?;18-,23?,29?;;18-,23?,29?;;/m11.1../s1
InChIKeyATSCHWHMRSFMTL-QWDWMUDXSA-N
XLogP21.26
TPSA557.86 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003024.26
LogP ≤ 521.26
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)CN1C[C@H](c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1C[C@H](c2cccc(F)c2F)CCC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.O=C(NC1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCC1C(=O)Nc2ccccc21)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCCN1CCc2ccccc2C1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCc1nc2ccccc2n1-c1ccccc1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 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?
The InChIKey is ATSCHWHMRSFMTL-QWDWMUDXSA-N. The full InChI is InChI=1S/C32H32F2N4O4.C30H25F5N4O3.C30H23N5O2.C29H26F2N4O3.C27H26N4O2.C25H20N4O3/c1-31(2,42)17-38-16-20(22-5-3-7-24(33)26(22)34)10-11-25(29(38)40)36-28(39)18-8-9-19-14-32(15-21(19)13-18)23-6-4-12-35-27(23)37-30(32)41;31-22-5-1-3-20(24(22)32)18-8-9-23(27(41)39(14-18)15-30(33,34)35)37-26(40)16-6-7-17-12-29(13-19(17)11-16)21-4-2-10-36-25(21)38-28(29)42;36-28(32-18-26-33-24-10-4-5-11-25(24)35(26)22-7-2-1-3-8-22)19-12-13-20-16-30(17-21(20)15-19)23-9-6-14-31-27(23)34-29(30)37;1-35-15-18(20-4-2-6-22(30)24(20)31)9-10-23(27(35)37)33-26(36)16-7-8-17-13-29(14-19(17)12-16)21-5-3-11-32-25(21)34-28(29)38;32-25(29-11-13-31-12-9-18-4-1-2-5-21(18)17-31)19-7-8-20-15-27(16-22(20)14-19)23-6-3-10-28-24(23)30-26(27)33;30-22(27-13-18-17-4-1-2-6-20(17)28-23(18)31)14-7-8-15-11-25(12-16(15)10-14)19-5-3-9-26-21(19)29-24(25)32/h3-9,12-13,20,25,42H,10-11,14-17H2,1-2H3,(H,36,39)(H,35,37,41);1-7,10-11,18,23H,8-9,12-15H2,(H,37,40)(H,36,38,42);1-15H,16-18H2,(H,32,36)(H,31,34,37);2-8,11-12,18,23H,9-10,13-15H2,1H3,(H,33,36)(H,32,34,38);1-8,10,14H,9,11-13,15-17H2,(H,29,32)(H,28,30,33);1-10,18H,11-13H2,(H,27,30)(H,28,31)(H,26,29,32)/t20-,25?,32?;18-,23?,29?;;18-,23?,29?;;/m11.1../s1.
What are the key properties of 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?
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 has a molecular weight of 3024.26 g/mol, XLogP of 21.26, 23 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157227539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).