sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)

C164H170BBrN16NaO17P4Pd- — CID 158148070

About sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)

sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane) (PubChem CID 158148070) has the molecular formula C164H170BBrN16NaO17P4Pd- and a molecular weight of 2981.28 g/mol. Its IUPAC name is sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 158148070
• Molecular Formula: C164H170BBrN16NaO17P4Pd-
• Molecular Weight: 2981.28 g/mol
• Exact Mass: 2978.01
• IUPAC Name: sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)
• SMILES: C.COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@H](C)NC(=O)OC)[nH]5)ccc4c3)cc2)[nH]1.COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.COC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)[nH]1.O=[C-]OO.[H-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C42H46N8O6.C30H37BN4O5.C18H21BrN4O3.4C18H15P.CHO3.CH4.Na.Pd.H/c1-23(45-41(53)55-3)39(51)49-17-5-6-35(49)37-43-21-33(47-37)26-9-7-25(8-10-26)27-11-12-29-19-30(14-13-28(29)18-27)34-22-44-38(48-34)36-31-15-16-32(20-31)50(36)40(52)24(2)46-42(54)56-4;1-17(33-28(37)38-6)27(36)35-23-12-10-21(15-23)25(35)26-32-16-24(34-26)20-8-7-19-14-22(11-9-18(19)13-20)31-39-29(2,3)30(4,5)40-31;1-11(21-18(25)26-2)17(24)23-9-3-4-15(23)16-20-10-14(22-16)12-5-7-13(19)8-6-12;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h7-14,18-19,21-24,31-32,35-36H,5-6,15-17,20H2,1-4H3,(H,43,47)(H,44,48)(H,45,53)(H,46,54);7-9,11,13-14,16-17,21,23,25H,10,12,15H2,1-6H3,(H,32,34)(H,33,37);5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,22)(H,21,25);4*1-15H;3H;1H4;;;/q;;;;;;;-1;;+1;;-1/t23-,24-,31-,32+,35-,36-;17-,21-,23+,25-;11-,15-;;;;;;;;;/m000........./s1
• InChIKey: COPBWMVGYSOHDE-RSUBAXCRSA-N
• XLogP: 25.14
• TPSA: 414.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2981.28
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane) (CID 158148070) is sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane) is C.COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@H](C)NC(=O)OC)[nH]5)ccc4c3)cc2)[nH]1.COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.COC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)[nH]1.O=[C-]OO.[H-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)?

The InChIKey is COPBWMVGYSOHDE-RSUBAXCRSA-N. The full InChI is InChI=1S/C42H46N8O6.C30H37BN4O5.C18H21BrN4O3.4C18H15P.CHO3.CH4.Na.Pd.H/c1-23(45-41(53)55-3)39(51)49-17-5-6-35(49)37-43-21-33(47-37)26-9-7-25(8-10-26)27-11-12-29-19-30(14-13-28(29)18-27)34-22-44-38(48-34)36-31-15-16-32(20-31)50(36)40(52)24(2)46-42(54)56-4;1-17(33-28(37)38-6)27(36)35-23-12-10-21(15-23)25(35)26-32-16-24(34-26)20-8-7-19-14-22(11-9-18(19)13-20)31-39-29(2,3)30(4,5)40-31;1-11(21-18(25)26-2)17(24)23-9-3-4-15(23)16-20-10-14(22-16)12-5-7-13(19)8-6-12;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h7-14,18-19,21-24,31-32,35-36H,5-6,15-17,20H2,1-4H3,(H,43,47)(H,44,48)(H,45,53)(H,46,54);7-9,11,13-14,16-17,21,23,25H,10,12,15H2,1-6H3,(H,32,34)(H,33,37);5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,22)(H,21,25);4*1-15H;3H;1H4;;;/q;;;;;;;-1;;+1;;-1/t23-,24-,31-,32+,35-,36-;17-,21-,23+,25-;11-,15-;;;;;;;;;/m000........./s1.

What are the key properties of sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)?

sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2981.28 g/mol, XLogP of 25.14, 31 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;hydroperoxymethanone;methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)propanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158148070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).