(2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide

C167H157Br5Cl2F3N45O18 — CID 159725738

About (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide

(2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide (PubChem CID 159725738) has the molecular formula C167H157Br5Cl2F3N45O18 and a molecular weight of 3609.81 g/mol. Its IUPAC name is (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide.

Molecular Properties

• Compound Name: (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide
• PubChem CID: 159725738
• Molecular Formula: C167H157Br5Cl2F3N45O18
• Molecular Weight: 3609.81 g/mol
• Exact Mass: 3601.80
• IUPAC Name: (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide
• SMILES: CC#CC1=NC([N+](=O)[O-])=C(C[N+](C)(C)C/C=C/C(=O)Cc2cc3c(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)ncnc3cn2)C1.CC1=NC([N+](=O)[O-])=C(C[N+](C)(C)C/C=C/C(=O)Cc2cc3c(Nc4ccc(OCc5ccccn5)c(Cl)c4)ncnc3cn2)C1.C[N+](C)(C/C=C/C(=O)Cc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cn1)CC1=C([N+](=O)[O-])N=CC1.C[N+](C)(C/C=C/C(=O)Cc1cc2c(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)ncnc2cn1)CC1=C([N+](=O)[O-])N=C(C#N)C1.C[N+](C)(C/C=C/C(=O)Cc1cc2c(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)ncnc2cn1)CC1=C([N+](=O)[O-])N=C(C(N)=O)C1.[Br-].[Br-].[Br-].[Br-].[Br-]
• InChI: InChI=1S/C36H33FN9O3.C34H31FN10O4.C34H30FN10O3.C32H32ClN8O4.C31H30ClN8O4.5BrH/c1-4-7-28-16-26(36(43-28)45(48)49)22-46(2,3)13-6-10-31(47)17-30-18-32-33(20-38-30)39-23-40-35(32)42-29-11-12-34-25(15-29)19-41-44(34)21-24-8-5-9-27(37)14-24;1-45(2,19-23-13-29(32(36)47)42-34(23)44(48)49)10-4-7-27(46)14-26-15-28-30(17-37-26)38-20-39-33(28)41-25-8-9-31-22(12-25)16-40-43(31)18-21-5-3-6-24(35)11-21;1-45(2,20-24-13-28(16-36)42-34(24)44(47)48)10-4-7-29(46)14-27-15-30-31(18-37-27)38-21-39-33(30)41-26-8-9-32-23(12-26)17-40-43(32)19-22-5-3-6-25(35)11-22;1-21-13-22(32(38-21)40(43)44)18-41(2,3)12-6-8-26(42)14-25-15-27-29(17-35-25)36-20-37-31(27)39-23-9-10-30(28(33)16-23)45-19-24-7-4-5-11-34-24;1-40(2,18-21-10-12-34-31(21)39(42)43)13-5-7-25(41)14-24-15-26-28(17-35-24)36-20-37-30(26)38-22-8-9-29(27(32)16-22)44-19-23-6-3-4-11-33-23;;;;;/h5-6,8-12,14-15,18-20,23H,13,16-17,21-22H2,1-3H3,(H,39,40,42);3-9,11-12,15-17,20H,10,13-14,18-19H2,1-2H3,(H2-,36,38,39,41,47);3-9,11-12,15,17-18,21H,10,13-14,19-20H2,1-2H3,(H,38,39,41);4-11,15-17,20H,12-14,18-19H2,1-3H3,(H,36,37,39);3-9,11-12,15-17,20H,10,13-14,18-19H2,1-2H3,(H,36,37,38);5*1H/q+1;;3*+1;;;;;/p-4/b10-6+;2*7-4+;8-6+;7-5+
• InChIKey: OJPQAGNQGINZSA-VSXIRXKXSA-J
• XLogP: 9.80
• TPSA: 780.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 52
• Rotatable Bonds: 63
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3609.81
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide?

The IUPAC name of (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide (CID 159725738) is (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide.

What is the SMILES notation for (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide?

The canonical SMILES for (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide is CC#CC1=NC([N+](=O)[O-])=C(C[N+](C)(C)C/C=C/C(=O)Cc2cc3c(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)ncnc3cn2)C1.CC1=NC([N+](=O)[O-])=C(C[N+](C)(C)C/C=C/C(=O)Cc2cc3c(Nc4ccc(OCc5ccccn5)c(Cl)c4)ncnc3cn2)C1.C[N+](C)(C/C=C/C(=O)Cc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cn1)CC1=C([N+](=O)[O-])N=CC1.C[N+](C)(C/C=C/C(=O)Cc1cc2c(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)ncnc2cn1)CC1=C([N+](=O)[O-])N=C(C#N)C1.C[N+](C)(C/C=C/C(=O)Cc1cc2c(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)ncnc2cn1)CC1=C([N+](=O)[O-])N=C(C(N)=O)C1.[Br-].[Br-].[Br-].[Br-].[Br-].

What is the InChIKey of (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide?

The InChIKey is OJPQAGNQGINZSA-VSXIRXKXSA-J. The full InChI is InChI=1S/C36H33FN9O3.C34H31FN10O4.C34H30FN10O3.C32H32ClN8O4.C31H30ClN8O4.5BrH/c1-4-7-28-16-26(36(43-28)45(48)49)22-46(2,3)13-6-10-31(47)17-30-18-32-33(20-38-30)39-23-40-35(32)42-29-11-12-34-25(15-29)19-41-44(34)21-24-8-5-9-27(37)14-24;1-45(2,19-23-13-29(32(36)47)42-34(23)44(48)49)10-4-7-27(46)14-26-15-28-30(17-37-26)38-20-39-33(28)41-25-8-9-31-22(12-25)16-40-43(31)18-21-5-3-6-24(35)11-21;1-45(2,20-24-13-28(16-36)42-34(24)44(47)48)10-4-7-29(46)14-27-15-30-31(18-37-27)38-21-39-33(30)41-26-8-9-32-23(12-26)17-40-43(32)19-22-5-3-6-25(35)11-22;1-21-13-22(32(38-21)40(43)44)18-41(2,3)12-6-8-26(42)14-25-15-27-29(17-35-25)36-20-37-31(27)39-23-9-10-30(28(33)16-23)45-19-24-7-4-5-11-34-24;1-40(2,18-21-10-12-34-31(21)39(42)43)13-5-7-25(41)14-24-15-26-28(17-35-24)36-20-37-30(26)38-22-8-9-29(27(32)16-22)44-19-23-6-3-4-11-33-23;;;;;/h5-6,8-12,14-15,18-20,23H,13,16-17,21-22H2,1-3H3,(H,39,40,42);3-9,11-12,15-17,20H,10,13-14,18-19H2,1-2H3,(H2-,36,38,39,41,47);3-9,11-12,15,17-18,21H,10,13-14,19-20H2,1-2H3,(H,38,39,41);4-11,15-17,20H,12-14,18-19H2,1-3H3,(H,36,37,39);3-9,11-12,15-17,20H,10,13-14,18-19H2,1-2H3,(H,36,37,38);5*1H/q+1;;3*+1;;;;;/p-4/b10-6+;2*7-4+;8-6+;7-5+;;;;;.

What are the key properties of (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide?

(2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide has a molecular weight of 3609.81 g/mol, XLogP of 9.80, 63 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (2-carbamoyl-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(2-methyl-5-nitro-3H-pyrrol-4-yl)methyl]azanium;[(E)-5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-3H-pyrrol-4-yl)methyl]azanium;(2-cyano-5-nitro-3H-pyrrol-4-yl)methyl-[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethylazanium;[(E)-5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]-4-oxopent-2-enyl]-dimethyl-[(5-nitro-2-prop-1-ynyl-3H-pyrrol-4-yl)methyl]azanium;pentabromide is sourced from PubChem (CID 159725738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).