methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

C173H159N105O27 — CID 159453959

IUPACmethyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)n[nH]c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4[nH]nc(C)c4C(=O)OC)c3N)ncn2)c1N.COC(=O)c1cn[nH]c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4[nH]ncc4C(=O)OC)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccn4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ncccn4)c3N)ncn2)c1N
InChIInChI=1S/2C33H29N17O5.C32H28N18O4.C30H26N20O4.C24H26N16O4.C21H21N17O5/c2*1-17-23(41-43-27-21(29(51)54-3)15-36-47(27)19-11-7-5-8-12-19)25(34)49(45-17)31-38-32(40-33(53)39-31)50-26(35)24(18(2)46-50)42-44-28-22(30(52)55-4)16-37-48(28)20-13-9-6-10-14-20;1-17-25(41-43-29-19(31(51)53-3)14-39-49(29)21-9-5-7-11-35-21)27(33)47(45-17)23-13-24(38-16-37-23)48-28(34)26(18(2)46-48)42-44-30-20(32(52)54-4)15-40-50(30)22-10-6-8-12-36-22;1-15-21(41-43-25-17(27(51)53-3)12-39-49(25)29-33-7-5-8-34-29)23(31)47(45-15)19-11-20(38-14-37-19)48-24(32)22(16(2)46-48)42-44-26-18(28(52)54-4)13-40-50(26)30-35-9-6-10-36-30;1-9-15(23(41)43-5)21(33-29-9)35-31-17-11(3)37-39(19(17)25)13-7-14(28-8-27-13)40-20(26)18(12(4)38-40)32-36-22-16(24(42)44-6)10(2)30-34-22;1-7-11(29-33-15-9(5-24-31-15)17(39)42-3)13(22)37(35-7)19-26-20(28-21(41)27-19)38-14(23)12(8(2)36-38)30-34-16-10(6-25-32-16)18(40)43-4/h2*5-16H,34-35H2,1-4H3,(H,38,39,40,53);5-16H,33-34H2,1-4H3;5-14H,31-32H2,1-4H3;7-8H,25-26H2,1-6H3,(H,29,33)(H,30,34);5-6H,22-23H2,1-4H3,(H,24,31)(H,25,32)(H,26,27,28,41)/b4*43-41+,44-42+;35-31+,36-32+;33-29+,34-30+
InChIKeyLTSOYWBUTCQXES-YORZUUGQSA-N
MW4140.88 g/mol
LogP20.87
Rot. Bonds56

About methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (PubChem CID 159453959) has the molecular formula C173H159N105O27 and a molecular weight of 4140.88 g/mol. Its IUPAC name is methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
PubChem CID159453959
Molecular FormulaC173H159N105O27
Molecular Weight4140.88 g/mol
Exact Mass4138.43
IUPAC Namemethyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)n[nH]c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4[nH]nc(C)c4C(=O)OC)c3N)ncn2)c1N.COC(=O)c1cn[nH]c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4[nH]ncc4C(=O)OC)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccn4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ncccn4)c3N)ncn2)c1N
InChIInChI=1S/2C33H29N17O5.C32H28N18O4.C30H26N20O4.C24H26N16O4.C21H21N17O5/c2*1-17-23(41-43-27-21(29(51)54-3)15-36-47(27)19-11-7-5-8-12-19)25(34)49(45-17)31-38-32(40-33(53)39-31)50-26(35)24(18(2)46-50)42-44-28-22(30(52)55-4)16-37-48(28)20-13-9-6-10-14-20;1-17-25(41-43-29-19(31(51)53-3)14-39-49(29)21-9-5-7-11-35-21)27(33)47(45-17)23-13-24(38-16-37-23)48-28(34)26(18(2)46-48)42-44-30-20(32(52)54-4)15-40-50(30)22-10-6-8-12-36-22;1-15-21(41-43-25-17(27(51)53-3)12-39-49(25)29-33-7-5-8-34-29)23(31)47(45-15)19-11-20(38-14-37-19)48-24(32)22(16(2)46-48)42-44-26-18(28(52)54-4)13-40-50(26)30-35-9-6-10-36-30;1-9-15(23(41)43-5)21(33-29-9)35-31-17-11(3)37-39(19(17)25)13-7-14(28-8-27-13)40-20(26)18(12(4)38-40)32-36-22-16(24(42)44-6)10(2)30-34-22;1-7-11(29-33-15-9(5-24-31-15)17(39)42-3)13(22)37(35-7)19-26-20(28-21(41)27-19)38-14(23)12(8(2)36-38)30-34-16-10(6-25-32-16)18(40)43-4/h2*5-16H,34-35H2,1-4H3,(H,38,39,40,53);5-16H,33-34H2,1-4H3;5-14H,31-32H2,1-4H3;7-8H,25-26H2,1-6H3,(H,29,33)(H,30,34);5-6H,22-23H2,1-4H3,(H,24,31)(H,25,32)(H,26,27,28,41)/b4*43-41+,44-42+;35-31+,36-32+;33-29+,34-30+
InChIKeyLTSOYWBUTCQXES-YORZUUGQSA-N
XLogP20.87
TPSA1726.98 Ų
H-Bond Donors19
H-Bond Acceptors128
Rotatable Bonds56
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004140.88
LogP ≤ 520.87
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 10128

Analyze methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-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-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (CID 159453959) is methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is COC(=O)c1c(C)n[nH]c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4[nH]nc(C)c4C(=O)OC)c3N)ncn2)c1N.COC(=O)c1cn[nH]c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4[nH]ncc4C(=O)OC)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c1N.COC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccn4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ncccn4)c3N)ncn2)c1N.
What is the InChIKey of methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The InChIKey is LTSOYWBUTCQXES-YORZUUGQSA-N. The full InChI is InChI=1S/2C33H29N17O5.C32H28N18O4.C30H26N20O4.C24H26N16O4.C21H21N17O5/c2*1-17-23(41-43-27-21(29(51)54-3)15-36-47(27)19-11-7-5-8-12-19)25(34)49(45-17)31-38-32(40-33(53)39-31)50-26(35)24(18(2)46-50)42-44-28-22(30(52)55-4)16-37-48(28)20-13-9-6-10-14-20;1-17-25(41-43-29-19(31(51)53-3)14-39-49(29)21-9-5-7-11-35-21)27(33)47(45-17)23-13-24(38-16-37-23)48-28(34)26(18(2)46-48)42-44-30-20(32(52)54-4)15-40-50(30)22-10-6-8-12-36-22;1-15-21(41-43-25-17(27(51)53-3)12-39-49(25)29-33-7-5-8-34-29)23(31)47(45-15)19-11-20(38-14-37-19)48-24(32)22(16(2)46-48)42-44-26-18(28(52)54-4)13-40-50(26)30-35-9-6-10-36-30;1-9-15(23(41)43-5)21(33-29-9)35-31-17-11(3)37-39(19(17)25)13-7-14(28-8-27-13)40-20(26)18(12(4)38-40)32-36-22-16(24(42)44-6)10(2)30-34-22;1-7-11(29-33-15-9(5-24-31-15)17(39)42-3)13(22)37(35-7)19-26-20(28-21(41)27-19)38-14(23)12(8(2)36-38)30-34-16-10(6-25-32-16)18(40)43-4/h2*5-16H,34-35H2,1-4H3,(H,38,39,40,53);5-16H,33-34H2,1-4H3;5-14H,31-32H2,1-4H3;7-8H,25-26H2,1-6H3,(H,29,33)(H,30,34);5-6H,22-23H2,1-4H3,(H,24,31)(H,25,32)(H,26,27,28,41)/b4*43-41+,44-42+;35-31+,36-32+;33-29+,34-30+.
What are the key properties of methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate has a molecular weight of 4140.88 g/mol, XLogP of 20.87, 56 rotatable bonds, 19 hydrogen bond donors, and 128 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1H-pyrazole-4-carboxylate;bis(methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate);methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 159453959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).