methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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

C114H110N72O16 — CID 159347431

IUPACmethyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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/c4c(C(=O)CO)cnn4C)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
InChIInChI=1S/C33H36N24O6.C32H28N18O4.C18H16N10O2.C17H15N11O2.C14H15N9O2/c1-13-20(43-46-26-16(19(59)12-58)9-37-52(26)4)23(34)55(49-13)31-40-32(56-24(35)21(14(2)50-56)44-47-27-17(29(60)62-7)10-38-53(27)5)42-33(41-31)57-25(36)22(15(3)51-57)45-48-28-18(30(61)63-8)11-39-54(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;1-11-14(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;3-10H,19H2,1-2H3;3-9H,18H2,1-2H3;4-7H,15H2,1-3H3/b46-43+,47-44+,48-45+;43-41+,44-42+;2*25-24+;20-19+
InChIKeyLGXDQCPNHUFLPD-MUSXYKGSSA-N
MW2744.62 g/mol
LogP11.43
Rot. Bonds38

About methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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-5-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-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 159347431) has the molecular formula C114H110N72O16 and a molecular weight of 2744.62 g/mol. Its IUPAC name is methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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-5-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-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 CID159347431
Molecular FormulaC114H110N72O16
Molecular Weight2744.62 g/mol
Exact Mass2743.00
IUPAC Namemethyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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/c4c(C(=O)CO)cnn4C)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
InChIInChI=1S/C33H36N24O6.C32H28N18O4.C18H16N10O2.C17H15N11O2.C14H15N9O2/c1-13-20(43-46-26-16(19(59)12-58)9-37-52(26)4)23(34)55(49-13)31-40-32(56-24(35)21(14(2)50-56)44-47-27-17(29(60)62-7)10-38-53(27)5)42-33(41-31)57-25(36)22(15(3)51-57)45-48-28-18(30(61)63-8)11-39-54(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;1-11-14(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;3-10H,19H2,1-2H3;3-9H,18H2,1-2H3;4-7H,15H2,1-3H3/b46-43+,47-44+,48-45+;43-41+,44-42+;2*25-24+;20-19+
InChIKeyLGXDQCPNHUFLPD-MUSXYKGSSA-N
XLogP11.43
TPSA1129.68 Ų
H-Bond Donors10
H-Bond Acceptors88
Rotatable Bonds38
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002744.62
LogP ≤ 511.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1088

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-5-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-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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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-5-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-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 159347431) is methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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-5-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-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-5-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-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/c4c(C(=O)CO)cnn4C)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.
What is the InChIKey of methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-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-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 LGXDQCPNHUFLPD-MUSXYKGSSA-N. The full InChI is InChI=1S/C33H36N24O6.C32H28N18O4.C18H16N10O2.C17H15N11O2.C14H15N9O2/c1-13-20(43-46-26-16(19(59)12-58)9-37-52(26)4)23(34)55(49-13)31-40-32(56-24(35)21(14(2)50-56)44-47-27-17(29(60)62-7)10-38-53(27)5)42-33(41-31)57-25(36)22(15(3)51-57)45-48-28-18(30(61)63-8)11-39-54(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;1-11-14(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;3-10H,19H2,1-2H3;3-9H,18H2,1-2H3;4-7H,15H2,1-3H3/b46-43+,47-44+,48-45+;43-41+,44-42+;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-5-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-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-5-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-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 2744.62 g/mol, XLogP of 11.43, 38 rotatable bonds, 10 hydrogen bond donors, and 88 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-5-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-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 159347431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).