1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile

C185H226N66O17S3 — CID 161280066

About 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile

1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (PubChem CID 161280066) has the molecular formula C185H226N66O17S3 and a molecular weight of 3742.49 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
• PubChem CID: 161280066
• Molecular Formula: C185H226N66O17S3
• Molecular Weight: 3742.49 g/mol
• Exact Mass: 3739.80
• IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
• SMILES: CCc1c(C#N)c(/N=N/c2c(NCCC(=O)O)nc(N(CC)CC)nc2NC(C)COC)nn1-c1ccc2ccccc2n1.CNc1nc(Cc2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2nc3cc(S(=O)(=O)NC(C)C(=O)O)ccc3s2)cc1C#N.COCCCNc1nc(CC(C)COC)nc(NC(C)COC)c1/N=N/c1nn(-c2ncccn2)cc1C#N.COCCCNc1nc(Cc2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2cncnc2)c(C)c1C#N.COCCCNc1nc(N(C)c2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2nc3ccccc3s2)c(C)c1C#N.[C-]#[N+]c1c(C#N)c(/N=N/c2c(NCCCOC)nc(Cc3c(C)cc(C)cc3C)nc2NCCCOC)nn1-c1cccnc1
• InChI: InChI=1S/C34H41N11O2S.C33H37N11O5S2.C32H37N11O2.C31H39N11O2.C30H37N11O3.C25H35N11O3/c1-21-18-22(2)29(23(3)19-21)44(5)33-39-31(36-14-10-16-46-6)28(32(40-33)37-15-11-17-47-7)41-42-30-25(20-35)24(4)45(43-30)34-38-26-12-8-9-13-27(26)48-34;1-18-12-19(2)24(20(3)13-18)15-27-38-30(35-5)28(31(39-27)36-10-7-11-49-6)40-41-29-22(16-34)17-44(42-29)33-37-25-14-23(8-9-26(25)50-33)51(47,48)43-21(4)32(45)46;1-21-16-22(2)25(23(3)17-21)18-27-38-30(36-12-8-14-44-5)28(31(39-27)37-13-9-15-45-6)40-41-29-26(19-33)32(34-4)43(42-29)24-10-7-11-35-20-24;1-20-13-21(2)25(22(3)14-20)15-27-37-30(35-9-7-11-43-5)28(31(38-27)36-10-8-12-44-6)39-40-29-26(16-32)23(4)42(41-29)24-17-33-19-34-18-24;1-6-23-21(17-31)27(39-41(23)24-14-13-20-11-9-10-12-22(20)34-24)38-37-26-28(32-16-15-25(42)43)35-30(40(7-2)8-3)36-29(26)33-19(4)18-44-5;1-17(15-38-4)12-20-31-23(27-10-7-11-37-3)21(24(32-20)30-18(2)16-39-5)33-34-22-19(13-26)14-36(35-22)25-28-8-6-9-29-25/h8-9,12-13,18-19H,10-11,14-17H2,1-7H3,(H2,36,37,39,40);8-9,12-14,17,21,43H,7,10-11,15H2,1-6H3,(H,45,46)(H2,35,36,38,39);7,10-11,16-17,20H,8-9,12-15,18H2,1-3,5-6H3,(H2,36,37,38,39);13-14,17-19H,7-12,15H2,1-6H3,(H2,35,36,37,38);9-14,19H,6-8,15-16,18H2,1-5H3,(H,42,43)(H2,32,33,35,36);6,8-9,14,17-18H,7,10-12,15-16H2,1-5H3,(H2,27,30,31,32)/b42-41+;2*41-40+;40-39+;38-37+;34-33+
• InChIKey: VEYRYERUKPOPIQ-SPNARQFGSA-N
• XLogP: 33.24
• TPSA: 1033.28 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 81
• Rotatable Bonds: 91
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3742.49
LogP ≤ 5	33.24
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	81

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (CID 161280066) is 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is CCc1c(C#N)c(/N=N/c2c(NCCC(=O)O)nc(N(CC)CC)nc2NC(C)COC)nn1-c1ccc2ccccc2n1.CNc1nc(Cc2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2nc3cc(S(=O)(=O)NC(C)C(=O)O)ccc3s2)cc1C#N.COCCCNc1nc(CC(C)COC)nc(NC(C)COC)c1/N=N/c1nn(-c2ncccn2)cc1C#N.COCCCNc1nc(Cc2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2cncnc2)c(C)c1C#N.COCCCNc1nc(N(C)c2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2nc3ccccc3s2)c(C)c1C#N.[C-]#[N+]c1c(C#N)c(/N=N/c2c(NCCCOC)nc(Cc3c(C)cc(C)cc3C)nc2NCCCOC)nn1-c1cccnc1.

What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

The InChIKey is VEYRYERUKPOPIQ-SPNARQFGSA-N. The full InChI is InChI=1S/C34H41N11O2S.C33H37N11O5S2.C32H37N11O2.C31H39N11O2.C30H37N11O3.C25H35N11O3/c1-21-18-22(2)29(23(3)19-21)44(5)33-39-31(36-14-10-16-46-6)28(32(40-33)37-15-11-17-47-7)41-42-30-25(20-35)24(4)45(43-30)34-38-26-12-8-9-13-27(26)48-34;1-18-12-19(2)24(20(3)13-18)15-27-38-30(35-5)28(31(39-27)36-10-7-11-49-6)40-41-29-22(16-34)17-44(42-29)33-37-25-14-23(8-9-26(25)50-33)51(47,48)43-21(4)32(45)46;1-21-16-22(2)25(23(3)17-21)18-27-38-30(36-12-8-14-44-5)28(31(39-27)37-13-9-15-45-6)40-41-29-26(19-33)32(34-4)43(42-29)24-10-7-11-35-20-24;1-20-13-21(2)25(22(3)14-20)15-27-37-30(35-9-7-11-43-5)28(31(38-27)36-10-8-12-44-6)39-40-29-26(16-32)23(4)42(41-29)24-17-33-19-34-18-24;1-6-23-21(17-31)27(39-41(23)24-14-13-20-11-9-10-12-22(20)34-24)38-37-26-28(32-16-15-25(42)43)35-30(40(7-2)8-3)36-29(26)33-19(4)18-44-5;1-17(15-38-4)12-20-31-23(27-10-7-11-37-3)21(24(32-20)30-18(2)16-39-5)33-34-22-19(13-26)14-36(35-22)25-28-8-6-9-29-25/h8-9,12-13,18-19H,10-11,14-17H2,1-7H3,(H2,36,37,39,40);8-9,12-14,17,21,43H,7,10-11,15H2,1-6H3,(H,45,46)(H2,35,36,38,39);7,10-11,16-17,20H,8-9,12-15,18H2,1-3,5-6H3,(H2,36,37,38,39);13-14,17-19H,7-12,15H2,1-6H3,(H2,35,36,37,38);9-14,19H,6-8,15-16,18H2,1-5H3,(H,42,43)(H2,32,33,35,36);6,8-9,14,17-18H,7,10-12,15-16H2,1-5H3,(H2,27,30,31,32)/b42-41+;2*41-40+;40-39+;38-37+;34-33+.

What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile has a molecular weight of 3742.49 g/mol, XLogP of 33.24, 91 rotatable bonds, 15 hydrogen bond donors, and 81 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzothiazol-2-yl)-3-[[4,6-bis(3-methoxypropylamino)-2-(N,2,4,6-tetramethylanilino)pyrimidin-5-yl]diazenyl]-5-methylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-isocyano-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;3-[[5-[(4-cyano-5-ethyl-1-quinolin-2-ylpyrazol-3-yl)diazenyl]-2-(diethylamino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[[2-[4-cyano-3-[[4-(3-methoxypropylamino)-6-(methylamino)-2-[(2,4,6-trimethylphenyl)methyl]pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-1,3-benzothiazol-5-yl]sulfonylamino]propanoic acid;3-[[2-(3-methoxy-2-methylpropyl)-4-(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 161280066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).