tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C159H157F4N25O17 — CID 161263224

About tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 161263224) has the molecular formula C159H157F4N25O17 and a molecular weight of 2766.15 g/mol. Its IUPAC name is tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

• Compound Name: tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
• PubChem CID: 161263224
• Molecular Formula: C159H157F4N25O17
• Molecular Weight: 2766.15 g/mol
• Exact Mass: 2764.21
• IUPAC Name: tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
• SMILES: CC(C)(C)OC(=O)N1CC(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CC2.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CCC2.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CCC2.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
• InChI: InChI=1S/C36H37F2N5O5.C31H29F2N5O3.2C31H31N5O3.C30H29N5O3/c1-34(2,3)48-33(47)43-19-28(22-13-24(37)16-25(38)14-22)42(32(46)36(43)10-4-5-11-36)20-29(44)40-26-9-8-21-17-35(18-23(21)15-26)27-7-6-12-39-30(27)41-31(35)45;32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40;2*1-35-18-25(20-7-3-2-4-8-20)36(29(39)31(35)12-6-13-31)19-26(37)33-23-11-10-21-16-30(17-22(21)15-23)24-9-5-14-32-27(24)34-28(30)38;1-34-17-24(19-6-3-2-4-7-19)35(28(38)30(34)11-12-30)18-25(36)32-22-10-9-20-15-29(16-21(20)14-22)23-8-5-13-31-26(23)33-27(29)37/h6-9,12-16,28H,4-5,10-11,17-20H2,1-3H3,(H,40,44)(H,39,41,45);3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40);2*2-5,7-11,14-15,25H,6,12-13,16-19H2,1H3,(H,33,37)(H,32,34,38);2-10,13-14,24H,11-12,15-18H2,1H3,(H,32,36)(H,31,33,37)
• InChIKey: VCVKVPZPKMHYIF-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 508.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.15
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The IUPAC name of tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 161263224) is tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

What is the SMILES notation for tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The canonical SMILES for tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CC(C)(C)OC(=O)N1CC(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CC2.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CCC2.CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C12CCC2.O=C(CN1C(=O)C2(CCCC2)NCC1c1cc(F)cc(F)c1)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.

What is the InChIKey of tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The InChIKey is VCVKVPZPKMHYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F2N5O5.C31H29F2N5O3.2C31H31N5O3.C30H29N5O3/c1-34(2,3)48-33(47)43-19-28(22-13-24(37)16-25(38)14-22)42(32(46)36(43)10-4-5-11-36)20-29(44)40-26-9-8-21-17-35(18-23(21)15-26)27-7-6-12-39-30(27)41-31(35)45;32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40;2*1-35-18-25(20-7-3-2-4-8-20)36(29(39)31(35)12-6-13-31)19-26(37)33-23-11-10-21-16-30(17-22(21)15-23)24-9-5-14-32-27(24)34-28(30)38;1-34-17-24(19-6-3-2-4-7-19)35(28(38)30(34)11-12-30)18-25(36)32-22-10-9-20-15-29(16-21(20)14-22)23-8-5-13-31-26(23)33-27(29)37/h6-9,12-16,28H,4-5,10-11,17-20H2,1-3H3,(H,40,44)(H,39,41,45);3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40);2*2-5,7-11,14-15,25H,6,12-13,16-19H2,1H3,(H,33,37)(H,32,34,38);2-10,13-14,24H,11-12,15-18H2,1H3,(H,32,36)(H,31,33,37).

What are the key properties of tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 2766.15 g/mol, XLogP of 19.14, 20 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 161263224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).