methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

C145H142N88O20 — CID 157359128

IUPACmethyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(-n3ncc(C(=O)CO)c3/N=N/c3c(C)nn(-c4ccccn4)c3N)ncn2)c1/N=N/c1c(C)nn(-c2ccccn2)c1N.COC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(-n3nc(C)c(/N=N/c4nn(C)cc4C(=O)CO)c3N)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(CCCc2nn(-c3ccccn3)c(N)c2/N=N/c2c(C(=O)CO)cnn2C)nn(-c2ccccn2)c1N
InChIInChI=1S/C33H36N24O6.C32H28N18O4.C31H32N16O4.C18H16N10O2.C17H15N11O2.C14H15N9O2/c1-13-20(42-45-26-18(19(59)12-58)11-52(4)51-26)23(34)55(48-13)31-39-32(56-24(35)21(14(2)49-56)43-46-27-16(29(60)62-7)9-37-53(27)5)41-33(40-31)57-25(36)22(15(3)50-57)44-47-28-17(30(61)63-8)10-38-54(28)6;1-17-26(28(33)47(45-17)22-8-4-6-10-35-22)41-43-30-19(21(52)15-51)13-39-49(30)24-12-25(38-16-37-24)50-31(20(14-40-50)32(53)54-3)44-42-27-18(2)46-48(29(27)34)23-9-5-7-11-36-23;1-44-29(18(15-36-44)22(49)17-48)40-38-25-20(42-46(27(25)32)23-11-4-6-13-34-23)9-8-10-21-26(28(33)47(43-21)24-12-5-7-14-35-24)39-41-30-19(31(50)51-3)16-37-45(30)2;1-11-14(15(19)28(26-11)18-21-8-5-9-22-18)24-25-16-12(17(29)30-2)10-23-27(16)13-6-3-4-7-20-13;1-10-12(13(18)27(26-10)16-19-5-3-6-20-16)24-25-14-11(15(29)30-2)9-23-28(14)17-21-7-4-8-22-17;1-8-10(11(15)23(21-8)14-16-5-4-6-17-14)19-20-12-9(13(24)25-3)7-18-22(12)2/h9-11,58H,12,34-36H2,1-8H3;4-14,16,51H,15,33-34H2,1-3H3;4-7,11-16,48H,8-10,17,32-33H2,1-3H3;3-10H,19H2,1-2H3;3-9H,18H2,1-2H3;4-7H,15H2,1-3H3/b45-42+,46-43+,47-44+;43-41+,44-42+;40-38+,41-39+;2*25-24+;20-19+
InChIKeyBIKXHZJLLRQAIU-IEWSJDDASA-N
MW3437.33 g/mol
LogP14.88
Rot. Bonds51

About methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (PubChem CID 157359128) has the molecular formula C145H142N88O20 and a molecular weight of 3437.33 g/mol. Its IUPAC name is methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
PubChem CID157359128
Molecular FormulaC145H142N88O20
Molecular Weight3437.33 g/mol
Exact Mass3435.28
IUPAC Namemethyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(-n3ncc(C(=O)CO)c3/N=N/c3c(C)nn(-c4ccccn4)c3N)ncn2)c1/N=N/c1c(C)nn(-c2ccccn2)c1N.COC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(-n3nc(C)c(/N=N/c4nn(C)cc4C(=O)CO)c3N)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(CCCc2nn(-c3ccccn3)c(N)c2/N=N/c2c(C(=O)CO)cnn2C)nn(-c2ccccn2)c1N
InChIInChI=1S/C33H36N24O6.C32H28N18O4.C31H32N16O4.C18H16N10O2.C17H15N11O2.C14H15N9O2/c1-13-20(42-45-26-18(19(59)12-58)11-52(4)51-26)23(34)55(48-13)31-39-32(56-24(35)21(14(2)49-56)43-46-27-16(29(60)62-7)9-37-53(27)5)41-33(40-31)57-25(36)22(15(3)50-57)44-47-28-17(30(61)63-8)10-38-54(28)6;1-17-26(28(33)47(45-17)22-8-4-6-10-35-22)41-43-30-19(21(52)15-51)13-39-49(30)24-12-25(38-16-37-24)50-31(20(14-40-50)32(53)54-3)44-42-27-18(2)46-48(29(27)34)23-9-5-7-11-36-23;1-44-29(18(15-36-44)22(49)17-48)40-38-25-20(42-46(27(25)32)23-11-4-6-13-34-23)9-8-10-21-26(28(33)47(43-21)24-12-5-7-14-35-24)39-41-30-19(31(50)51-3)16-37-45(30)2;1-11-14(15(19)28(26-11)18-21-8-5-9-22-18)24-25-16-12(17(29)30-2)10-23-27(16)13-6-3-4-7-20-13;1-10-12(13(18)27(26-10)16-19-5-3-6-20-16)24-25-14-11(15(29)30-2)9-23-28(14)17-21-7-4-8-22-17;1-8-10(11(15)23(21-8)14-16-5-4-6-17-14)19-20-12-9(13(24)25-3)7-18-22(12)2/h9-11,58H,12,34-36H2,1-8H3;4-14,16,51H,15,33-34H2,1-3H3;4-7,11-16,48H,8-10,17,32-33H2,1-3H3;3-10H,19H2,1-2H3;3-9H,18H2,1-2H3;4-7H,15H2,1-3H3/b45-42+,46-43+,47-44+;43-41+,44-42+;40-38+,41-39+;2*25-24+;20-19+
InChIKeyBIKXHZJLLRQAIU-IEWSJDDASA-N
XLogP14.88
TPSA1391.82 Ų
H-Bond Donors13
H-Bond Acceptors108
Rotatable Bonds51
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003437.33
LogP ≤ 514.88
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 10108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (CID 157359128) is methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is COC(=O)c1cnn(-c2cc(-n3ncc(C(=O)CO)c3/N=N/c3c(C)nn(-c4ccccn4)c3N)ncn2)c1/N=N/c1c(C)nn(-c2ccccn2)c1N.COC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(-n3nc(C)c(/N=N/c4nn(C)cc4C(=O)CO)c3N)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ncccn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(CCCc2nn(-c3ccccn3)c(N)c2/N=N/c2c(C(=O)CO)cnn2C)nn(-c2ccccn2)c1N.
What is the InChIKey of methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The InChIKey is BIKXHZJLLRQAIU-IEWSJDDASA-N. The full InChI is InChI=1S/C33H36N24O6.C32H28N18O4.C31H32N16O4.C18H16N10O2.C17H15N11O2.C14H15N9O2/c1-13-20(42-45-26-18(19(59)12-58)11-52(4)51-26)23(34)55(48-13)31-39-32(56-24(35)21(14(2)49-56)43-46-27-16(29(60)62-7)9-37-53(27)5)41-33(40-31)57-25(36)22(15(3)50-57)44-47-28-17(30(61)63-8)10-38-54(28)6;1-17-26(28(33)47(45-17)22-8-4-6-10-35-22)41-43-30-19(21(52)15-51)13-39-49(30)24-12-25(38-16-37-24)50-31(20(14-40-50)32(53)54-3)44-42-27-18(2)46-48(29(27)34)23-9-5-7-11-36-23;1-44-29(18(15-36-44)22(49)17-48)40-38-25-20(42-46(27(25)32)23-11-4-6-13-34-23)9-8-10-21-26(28(33)47(43-21)24-12-5-7-14-35-24)39-41-30-19(31(50)51-3)16-37-45(30)2;1-11-14(15(19)28(26-11)18-21-8-5-9-22-18)24-25-16-12(17(29)30-2)10-23-27(16)13-6-3-4-7-20-13;1-10-12(13(18)27(26-10)16-19-5-3-6-20-16)24-25-14-11(15(29)30-2)9-23-28(14)17-21-7-4-8-22-17;1-8-10(11(15)23(21-8)14-16-5-4-6-17-14)19-20-12-9(13(24)25-3)7-18-22(12)2/h9-11,58H,12,34-36H2,1-8H3;4-14,16,51H,15,33-34H2,1-3H3;4-7,11-16,48H,8-10,17,32-33H2,1-3H3;3-10H,19H2,1-2H3;3-9H,18H2,1-2H3;4-7H,15H2,1-3H3/b45-42+,46-43+,47-44+;43-41+,44-42+;40-38+,41-39+;2*25-24+;20-19+.
What are the key properties of methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate has a molecular weight of 3437.33 g/mol, XLogP of 14.88, 51 rotatable bonds, 13 hydrogen bond donors, and 108 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-3-[3-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-1-pyridin-2-ylpyrazol-3-yl]propyl]-1-pyridin-2-ylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 157359128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).