2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate

C134H151BBrCl3F9N21O17 — CID 158498314

About 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate

2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate (PubChem CID 158498314) has the molecular formula C134H151BBrCl3F9N21O17 and a molecular weight of 2695.87 g/mol. Its IUPAC name is 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate.

Molecular Properties

• Compound Name: 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate
• PubChem CID: 158498314
• Molecular Formula: C134H151BBrCl3F9N21O17
• Molecular Weight: 2695.87 g/mol
• Exact Mass: 2691.98
• IUPAC Name: 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate
• SMILES: COC(=O)C12CCC(CC1)N(Cc1nc(C(F)(F)F)c(N[C@H]3CCc4c(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)N7)c(OC)n6)c5Cl)cccc43)nc1OC)C2.COC(=O)C12CCC(CC1)N(Cc1nc(C(F)(F)F)c(N[C@H]3CCc4c(Br)cccc43)nc1OC)C2.COc1nc(-c2cccc(-c3cccc4c3CC[C@@H]4Nc3nc(OC)c(CN4CC5(C(=O)O)CCC4CC5)nc3C(F)(F)F)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C43H47ClF3N7O5.C42H45ClF3N7O5.C25H28BrF3N4O3.C24H31BClN3O4/c1-57-39-24(20-48-21-25-11-15-35(55)49-25)10-13-33(52-39)31-9-5-8-30(36(31)44)27-6-4-7-29-28(27)12-14-32(29)51-38-37(43(45,46)47)50-34(40(53-38)58-2)22-54-23-42(41(56)59-3)18-16-26(54)17-19-42;1-57-38-23(19-47-20-24-10-14-34(54)48-24)9-12-32(51-38)30-8-4-7-29(35(30)43)26-5-3-6-28-27(26)11-13-31(28)50-37-36(42(44,45)46)49-33(39(52-37)58-2)21-53-22-41(40(55)56)17-15-25(53)16-18-41;1-35-22-19(12-33-13-24(23(34)36-2)10-8-14(33)9-11-24)30-20(25(27,28)29)21(32-22)31-18-7-6-15-16(18)4-3-5-17(15)26;1-23(2)24(3,4)33-25(32-23)18-8-6-7-17(21(18)26)19-11-9-15(22(29-19)31-5)13-27-14-16-10-12-20(30)28-16/h4-10,13,25-26,32,48H,11-12,14-23H2,1-3H3,(H,49,55)(H,51,53);3-9,12,24-25,31,47H,10-11,13-22H2,1-2H3,(H,48,54)(H,50,52)(H,55,56);3-5,14,18H,6-13H2,1-2H3,(H,31,32);6-9,11,16,27H,10,12-14H2,1-5H3,(H,28,30)/t25-,26?,32-,42?;24-,25?,31-,41?;14?,18-,24?;16-/m0001/s1
• InChIKey: HJOKEJDVHXPJDA-APWSYOKNSA-N
• XLogP: 22.83
• TPSA: 448.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 39
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2695.87
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate?

The IUPAC name of 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate (CID 158498314) is 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate.

What is the SMILES notation for 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate?

The canonical SMILES for 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate is COC(=O)C12CCC(CC1)N(Cc1nc(C(F)(F)F)c(N[C@H]3CCc4c(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)N7)c(OC)n6)c5Cl)cccc43)nc1OC)C2.COC(=O)C12CCC(CC1)N(Cc1nc(C(F)(F)F)c(N[C@H]3CCc4c(Br)cccc43)nc1OC)C2.COc1nc(-c2cccc(-c3cccc4c3CC[C@@H]4Nc3nc(OC)c(CN4CC5(C(=O)O)CCC4CC5)nc3C(F)(F)F)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.COc1nc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

What is the InChIKey of 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate?

The InChIKey is HJOKEJDVHXPJDA-APWSYOKNSA-N. The full InChI is InChI=1S/C43H47ClF3N7O5.C42H45ClF3N7O5.C25H28BrF3N4O3.C24H31BClN3O4/c1-57-39-24(20-48-21-25-11-15-35(55)49-25)10-13-33(52-39)31-9-5-8-30(36(31)44)27-6-4-7-29-28(27)12-14-32(29)51-38-37(43(45,46)47)50-34(40(53-38)58-2)22-54-23-42(41(56)59-3)18-16-26(54)17-19-42;1-57-38-23(19-47-20-24-10-14-34(54)48-24)9-12-32(51-38)30-8-4-7-29(35(30)43)26-5-3-6-28-27(26)11-13-31(28)50-37-36(42(44,45)46)49-33(39(52-37)58-2)21-53-22-41(40(55)56)17-15-25(53)16-18-41;1-35-22-19(12-33-13-24(23(34)36-2)10-8-14(33)9-11-24)30-20(25(27,28)29)21(32-22)31-18-7-6-15-16(18)4-3-5-17(15)26;1-23(2)24(3,4)33-25(32-23)18-8-6-7-17(21(18)26)19-11-9-15(22(29-19)31-5)13-27-14-16-10-12-20(30)28-16/h4-10,13,25-26,32,48H,11-12,14-23H2,1-3H3,(H,49,55)(H,51,53);3-9,12,24-25,31,47H,10-11,13-22H2,1-2H3,(H,48,54)(H,50,52)(H,55,56);3-5,14,18H,6-13H2,1-2H3,(H,31,32);6-9,11,16,27H,10,12-14H2,1-5H3,(H,28,30)/t25-,26?,32-,42?;24-,25?,31-,41?;14?,18-,24?;16-/m0001/s1.

What are the key properties of 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate?

2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate has a molecular weight of 2695.87 g/mol, XLogP of 22.83, 39 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid;(5R)-5-[[[6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one;methyl 2-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate;methyl 2-[[5-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-methoxy-6-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azabicyclo[2.2.2]octane-4-carboxylate is sourced from PubChem (CID 158498314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).