2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C154H147F6N27O17 — CID 161440126

IUPAC2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCC1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.CCC12CCC(c3ccccc3)(C(=O)N1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)C(=O)Nc3ncccc31)C2=O.CCC12CCC(c3ccccc3)(CN1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)C(=O)Nc3ncccc31)C2=O.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCOCC2)CCC1c1cc(F)cc(F)c1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H30F2N6O3.C31H29F2N5O4.C31H29N5O4.C31H31N5O3.C30H28F2N6O3/c1-29(20-10-21(32)12-22(33)11-20)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-24-9-18-13-30(14-19(18)15-35-24)23-5-4-8-34-26(23)38-27(30)41;32-21-10-18(11-22(33)13-21)24-3-4-30(5-8-42-9-6-30)29(41)38(24)17-26(39)36-25-12-19-14-31(15-20(19)16-35-25)23-2-1-7-34-27(23)37-28(31)40;1-2-30-12-13-31(27(39)35-30,21-7-4-3-5-8-21)36(28(30)40)18-24(37)33-22-11-10-19-16-29(17-20(19)15-22)23-9-6-14-32-25(23)34-26(29)38;1-2-30-12-13-31(19-33-30,22-7-4-3-5-8-22)36(28(30)39)18-25(37)34-23-11-10-20-16-29(17-21(20)15-23)24-9-6-14-32-26(24)35-27(29)38;31-20-8-17(9-21(32)11-20)23-15-35-30(5-1-2-6-30)28(41)38(23)16-25(39)36-24-10-18-12-29(13-19(18)14-34-24)22-4-3-7-33-26(22)37-27(29)40/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,34,38,41)(H,35,37,40);1-2,7,10-13,16,24H,3-6,8-9,14-15,17H2,(H,34,37,40)(H,35,36,39);3-11,14-15H,2,12-13,16-18H2,1H3,(H,33,37)(H,35,39)(H,32,34,38);3-11,14-15,33H,2,12-13,16-19H2,1H3,(H,34,37)(H,32,35,38);3-4,7-11,14,23,35H,1-2,5-6,12-13,15-16H2,(H,33,37,40)(H,34,36,39)
InChIKeyVZDUEDGEMFTDPE-UHFFFAOYSA-N
MW2762.03 g/mol
LogP16.44
Rot. Bonds22

About 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 161440126) has the molecular formula C154H147F6N27O17 and a molecular weight of 2762.03 g/mol. Its IUPAC name is 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID161440126
Molecular FormulaC154H147F6N27O17
Molecular Weight2762.03 g/mol
Exact Mass2760.14
IUPAC Name2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCC1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.CCC12CCC(c3ccccc3)(C(=O)N1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)C(=O)Nc3ncccc31)C2=O.CCC12CCC(c3ccccc3)(CN1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)C(=O)Nc3ncccc31)C2=O.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCOCC2)CCC1c1cc(F)cc(F)c1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H30F2N6O3.C31H29F2N5O4.C31H29N5O4.C31H31N5O3.C30H28F2N6O3/c1-29(20-10-21(32)12-22(33)11-20)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-24-9-18-13-30(14-19(18)15-35-24)23-5-4-8-34-26(23)38-27(30)41;32-21-10-18(11-22(33)13-21)24-3-4-30(5-8-42-9-6-30)29(41)38(24)17-26(39)36-25-12-19-14-31(15-20(19)16-35-25)23-2-1-7-34-27(23)37-28(31)40;1-2-30-12-13-31(27(39)35-30,21-7-4-3-5-8-21)36(28(30)40)18-24(37)33-22-11-10-19-16-29(17-20(19)15-22)23-9-6-14-32-25(23)34-26(29)38;1-2-30-12-13-31(19-33-30,22-7-4-3-5-8-22)36(28(30)39)18-25(37)34-23-11-10-20-16-29(17-21(20)15-23)24-9-6-14-32-26(24)35-27(29)38;31-20-8-17(9-21(32)11-20)23-15-35-30(5-1-2-6-30)28(41)38(23)16-25(39)36-24-10-18-12-29(13-19(18)14-34-24)22-4-3-7-33-26(22)37-27(29)40/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,34,38,41)(H,35,37,40);1-2,7,10-13,16,24H,3-6,8-9,14-15,17H2,(H,34,37,40)(H,35,36,39);3-11,14-15H,2,12-13,16-18H2,1H3,(H,33,37)(H,35,39)(H,32,34,38);3-11,14-15,33H,2,12-13,16-19H2,1H3,(H,34,37)(H,32,35,38);3-4,7-11,14,23,35H,1-2,5-6,12-13,15-16H2,(H,33,37,40)(H,34,36,39)
InChIKeyVZDUEDGEMFTDPE-UHFFFAOYSA-N
XLogP16.44
TPSA570.09 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002762.03
LogP ≤ 516.44
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 161440126) is 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CC1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.CCC12CCC(c3ccccc3)(C(=O)N1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)C(=O)Nc3ncccc31)C2=O.CCC12CCC(c3ccccc3)(CN1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)C(=O)Nc3ncccc31)C2=O.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCOCC2)CCC1c1cc(F)cc(F)c1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is VZDUEDGEMFTDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N6O3.C31H29F2N5O4.C31H29N5O4.C31H31N5O3.C30H28F2N6O3/c1-29(20-10-21(32)12-22(33)11-20)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-24-9-18-13-30(14-19(18)15-35-24)23-5-4-8-34-26(23)38-27(30)41;32-21-10-18(11-22(33)13-21)24-3-4-30(5-8-42-9-6-30)29(41)38(24)17-26(39)36-25-12-19-14-31(15-20(19)16-35-25)23-2-1-7-34-27(23)37-28(31)40;1-2-30-12-13-31(27(39)35-30,21-7-4-3-5-8-21)36(28(30)40)18-24(37)33-22-11-10-19-16-29(17-20(19)15-22)23-9-6-14-32-25(23)34-26(29)38;1-2-30-12-13-31(19-33-30,22-7-4-3-5-8-22)36(28(30)39)18-25(37)34-23-11-10-20-16-29(17-21(20)15-23)24-9-6-14-32-26(24)35-27(29)38;31-20-8-17(9-21(32)11-20)23-15-35-30(5-1-2-6-30)28(41)38(23)16-25(39)36-24-10-18-12-29(13-19(18)14-34-24)22-4-3-7-33-26(22)37-27(29)40/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,34,38,41)(H,35,37,40);1-2,7,10-13,16,24H,3-6,8-9,14-15,17H2,(H,34,37,40)(H,35,36,39);3-11,14-15H,2,12-13,16-18H2,1H3,(H,33,37)(H,35,39)(H,32,34,38);3-11,14-15,33H,2,12-13,16-19H2,1H3,(H,34,37)(H,32,35,38);3-4,7-11,14,23,35H,1-2,5-6,12-13,15-16H2,(H,33,37,40)(H,34,36,39).
What are the key properties of 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 2762.03 g/mol, XLogP of 16.44, 22 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-[3-(3,5-difluorophenyl)-1-oxo-9-oxa-2-azaspiro[5.5]undecan-2-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide;2-(4-ethyl-3,6-dioxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-(4-ethyl-3-oxo-1-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 161440126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).