benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C165H154F13N27O18 — CID 159643999

IUPACbenzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-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)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCC1c1cc(F)cc(F)c1)CCN(C(=O)OCc1ccccc1)CC2)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCN2CC(F)(F)F)CCC1c1cc(F)cc(F)c1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCOCC2)CCC1c1cc(F)cc(F)c1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C40H37F2N5O5.C33H30F5N5O3.C31H30F2N6O3.C31H29F2N5O4.C30H28F2N6O3/c41-29-17-27(18-30(42)20-29)33-10-11-39(12-15-46(16-13-39)38(51)52-24-25-5-2-1-3-6-25)37(50)47(33)23-34(48)44-31-9-8-26-21-40(22-28(26)19-31)32-7-4-14-43-35(32)45-36(40)49;34-22-11-20(12-23(35)14-22)26-6-8-32(7-2-10-42(32)18-33(36,37)38)30(46)43(26)17-27(44)40-24-5-4-19-15-31(16-21(19)13-24)25-3-1-9-39-28(25)41-29(31)45;1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41;32-20-10-18(11-21(33)13-20)25-3-4-30(5-8-42-9-6-30)29(41)38(25)17-26(39)36-22-12-19-14-31(15-24(19)35-16-22)23-2-1-7-34-27(23)37-28(31)40;31-19-8-17(9-20(32)11-19)24-15-35-30(5-1-2-6-30)28(41)38(24)16-25(39)36-21-10-18-12-29(13-23(18)34-14-21)22-4-3-7-33-26(22)37-27(29)40/h1-9,14,17-20,33H,10-13,15-16,21-24H2,(H,44,48)(H,43,45,49);1,3-5,9,11-14,26H,2,6-8,10,15-18H2,(H,40,44)(H,39,41,45);4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41);1-2,7,10-13,16,25H,3-6,8-9,14-15,17H2,(H,36,39)(H,34,37,40);3-4,7-11,14,24,35H,1-2,5-6,12-13,15-16H2,(H,36,39)(H,33,37,40)
InChIKeyMQSKAYUCBOZXKY-UHFFFAOYSA-N
MW3050.19 g/mol
LogP21.47
Rot. Bonds23

About benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 159643999) has the molecular formula C165H154F13N27O18 and a molecular weight of 3050.19 g/mol. Its IUPAC name is benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Namebenzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID159643999
Molecular FormulaC165H154F13N27O18
Molecular Weight3050.19 g/mol
Exact Mass3048.18
IUPAC Namebenzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-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)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCC1c1cc(F)cc(F)c1)CCN(C(=O)OCc1ccccc1)CC2)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCN2CC(F)(F)F)CCC1c1cc(F)cc(F)c1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCOCC2)CCC1c1cc(F)cc(F)c1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C40H37F2N5O5.C33H30F5N5O3.C31H30F2N6O3.C31H29F2N5O4.C30H28F2N6O3/c41-29-17-27(18-30(42)20-29)33-10-11-39(12-15-46(16-13-39)38(51)52-24-25-5-2-1-3-6-25)37(50)47(33)23-34(48)44-31-9-8-26-21-40(22-28(26)19-31)32-7-4-14-43-35(32)45-36(40)49;34-22-11-20(12-23(35)14-22)26-6-8-32(7-2-10-42(32)18-33(36,37)38)30(46)43(26)17-27(44)40-24-5-4-19-15-31(16-21(19)13-24)25-3-1-9-39-28(25)41-29(31)45;1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41;32-20-10-18(11-21(33)13-20)25-3-4-30(5-8-42-9-6-30)29(41)38(25)17-26(39)36-22-12-19-14-31(15-24(19)35-16-22)23-2-1-7-34-27(23)37-28(31)40;31-19-8-17(9-20(32)11-19)24-15-35-30(5-1-2-6-30)28(41)38(24)16-25(39)36-21-10-18-12-29(13-23(18)34-14-21)22-4-3-7-33-26(22)37-27(29)40/h1-9,14,17-20,33H,10-13,15-16,21-24H2,(H,44,48)(H,43,45,49);1,3-5,9,11-14,26H,2,6-8,10,15-18H2,(H,40,44)(H,39,41,45);4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41);1-2,7,10-13,16,25H,3-6,8-9,14-15,17H2,(H,36,39)(H,34,37,40);3-4,7-11,14,24,35H,1-2,5-6,12-13,15-16H2,(H,36,39)(H,33,37,40)
InChIKeyMQSKAYUCBOZXKY-UHFFFAOYSA-N
XLogP21.47
TPSA561.74 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003050.19
LogP ≤ 521.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-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 benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 159643999) is benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-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)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCC1c1cc(F)cc(F)c1)CCN(C(=O)OCc1ccccc1)CC2)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCCN2CC(F)(F)F)CCC1c1cc(F)cc(F)c1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(CN1C(=O)C2(CCOCC2)CCC1c1cc(F)cc(F)c1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is MQSKAYUCBOZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37F2N5O5.C33H30F5N5O3.C31H30F2N6O3.C31H29F2N5O4.C30H28F2N6O3/c41-29-17-27(18-30(42)20-29)33-10-11-39(12-15-46(16-13-39)38(51)52-24-25-5-2-1-3-6-25)37(50)47(33)23-34(48)44-31-9-8-26-21-40(22-28(26)19-31)32-7-4-14-43-35(32)45-36(40)49;34-22-11-20(12-23(35)14-22)26-6-8-32(7-2-10-42(32)18-33(36,37)38)30(46)43(26)17-27(44)40-24-5-4-19-15-31(16-21(19)13-24)25-3-1-9-39-28(25)41-29(31)45;1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41;32-20-10-18(11-21(33)13-20)25-3-4-30(5-8-42-9-6-30)29(41)38(25)17-26(39)36-22-12-19-14-31(15-24(19)35-16-22)23-2-1-7-34-27(23)37-28(31)40;31-19-8-17(9-20(32)11-19)24-15-35-30(5-1-2-6-30)28(41)38(24)16-25(39)36-21-10-18-12-29(13-23(18)34-14-21)22-4-3-7-33-26(22)37-27(29)40/h1-9,14,17-20,33H,10-13,15-16,21-24H2,(H,44,48)(H,43,45,49);1,3-5,9,11-14,26H,2,6-8,10,15-18H2,(H,40,44)(H,39,41,45);4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41);1-2,7,10-13,16,25H,3-6,8-9,14-15,17H2,(H,36,39)(H,34,37,40);3-4,7-11,14,24,35H,1-2,5-6,12-13,15-16H2,(H,36,39)(H,33,37,40).
What are the key properties of benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 3050.19 g/mol, XLogP of 21.47, 23 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;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[b]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[b]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[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 159643999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).