tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide

C112H96F19N17O14 — CID 157463538

About tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide

tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 157463538) has the molecular formula C112H96F19N17O14 and a molecular weight of 2265.07 g/mol. Its IUPAC name is tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide
• PubChem CID: 157463538
• Molecular Formula: C112H96F19N17O14
• Molecular Weight: 2265.07 g/mol
• Exact Mass: 2263.70
• IUPAC Name: tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide
• SMILES: CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)Cc1cc(F)cc(F)c1.CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)NCC(F)(F)F)cc1C2.O=C(CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CCC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
• InChI: InChI=1S/C30H24F6N4O3.C29H22F6N4O3.C29H28F2N4O4.C24H22F5N5O4/c31-19-9-18(24(33)22(32)11-19)14-40(27(43)29(6-2-7-29)30(34,35)36)15-23(41)38-20-5-4-16-12-28(13-17(16)10-20)21-3-1-8-37-25(21)39-26(28)42;30-18-8-17(23(32)21(31)10-18)13-39(26(42)28(5-6-28)29(33,34)35)14-22(40)37-19-4-3-15-11-27(12-16(15)9-19)20-2-1-7-36-24(20)38-25(27)41;1-28(2,3)39-27(38)35(15-17-9-20(30)12-21(31)10-17)16-24(36)33-22-7-6-18-13-29(14-19(18)11-22)23-5-4-8-32-25(23)34-26(29)37;1-33-22(38)32-20(36)23(33)8-14-2-3-18(6-15(14)9-23)31-19(35)11-34(21(37)30-12-24(27,28)29)10-13-4-16(25)7-17(26)5-13/h1,3-5,8-11H,2,6-7,12-15H2,(H,38,41)(H,37,39,42);1-4,7-10H,5-6,11-14H2,(H,37,40)(H,36,38,41);4-12H,13-16H2,1-3H3,(H,33,36)(H,32,34,37);2-7H,8-12H2,1H3,(H,30,37)(H,31,35)(H,32,36,38)/t28-;27-;29-;23-/m1110/s1
• InChIKey: BUFADCYZJQLOQR-FQEVYDGDSA-N
• XLogP: 17.41
• TPSA: 394.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2265.07
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?

The IUPAC name of tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide (CID 157463538) is tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?

The canonical SMILES for tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide is CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)Cc1cc(F)cc(F)c1.CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)NCC(F)(F)F)cc1C2.O=C(CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CCC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.

What is the InChIKey of tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?

The InChIKey is BUFADCYZJQLOQR-FQEVYDGDSA-N. The full InChI is InChI=1S/C30H24F6N4O3.C29H22F6N4O3.C29H28F2N4O4.C24H22F5N5O4/c31-19-9-18(24(33)22(32)11-19)14-40(27(43)29(6-2-7-29)30(34,35)36)15-23(41)38-20-5-4-16-12-28(13-17(16)10-20)21-3-1-8-37-25(21)39-26(28)42;30-18-8-17(23(32)21(31)10-18)13-39(26(42)28(5-6-28)29(33,34)35)14-22(40)37-19-4-3-15-11-27(12-16(15)9-19)20-2-1-7-36-24(20)38-25(27)41;1-28(2,3)39-27(38)35(15-17-9-20(30)12-21(31)10-17)16-24(36)33-22-7-6-18-13-29(14-19(18)11-22)23-5-4-8-32-25(23)34-26(29)37;1-33-22(38)32-20(36)23(33)8-14-2-3-18(6-15(14)9-23)31-19(35)11-34(21(37)30-12-24(27,28)29)10-13-4-16(25)7-17(26)5-13/h1,3-5,8-11H,2,6-7,12-15H2,(H,38,41)(H,37,39,42);1-4,7-10H,5-6,11-14H2,(H,37,40)(H,36,38,41);4-12H,13-16H2,1-3H3,(H,33,36)(H,32,34,37);2-7H,8-12H2,1H3,(H,30,37)(H,31,35)(H,32,36,38)/t28-;27-;29-;23-/m1110/s1.

What are the key properties of tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?

tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 2265.07 g/mol, XLogP of 17.41, 23 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamate;2-[(3,5-difluorophenyl)methyl-(2,2,2-trifluoroethylcarbamoyl)amino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide;N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157463538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).