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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid

C183H223N69O21S3 — CID 158442951

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid (PubChem CID 158442951) has the molecular formula C183H223N69O21S3 and a molecular weight of 3821.46 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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid.

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid
• PubChem CID: 158442951
• Molecular Formula: C183H223N69O21S3
• Molecular Weight: 3821.46 g/mol
• Exact Mass: 3818.77
• 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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid
• SMILES: CCc1c(C#N)c(/N=N/c2c(NCCCOC)nc(NC)nc2Nc2c(C)cc(C)cc2C)nn1-c1nc2cc(S(=O)(=O)N(C)C)ccc2s1.COCC(C)Nc1nc(Nc2c(C)cc(C)cc2C)nc(NCCCOC(=O)COCC(=O)O)c1/N=N/c1nn(-c2cccnc2)cc1C#N.COCC(C)Nc1nc(Nc2ccc(C)cc2C)nc(NCCC(=O)O)c1/N=N/c1nn(-c2cnccn2)cc1C#N.COCCCNc1nc(N(C)c2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2nc3ccccc3s2)c(C)c1C#N.COCCCNc1nc(NC(C)COC)nc(NC(C)COC)c1/N=N/c1nn(-c2ccccn2)cc1C#N.COCCCNc1nc(Nc2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2cncnc2)c(C)c1C#N.O=C=O
• InChI: InChI=1S/C34H41N11O2S.C33H40N12O3S2.C33H39N11O6.C30H38N12O2.C27H30N12O3.C25H35N11O3.CO2/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;1-9-25-23(18-34)29(43-45(25)33-37-24-17-22(11-12-26(24)49-33)50(46,47)44(6)7)42-41-28-30(36-13-10-14-48-8)39-32(35-5)40-31(28)38-27-20(3)15-19(2)16-21(27)4;1-20-12-21(2)28(22(3)13-20)38-33-39-31(36-10-7-11-50-27(47)19-49-18-26(45)46)29(32(40-33)37-23(4)17-48-5)41-42-30-24(14-34)16-44(43-30)25-8-6-9-35-15-25;1-19-13-20(2)25(21(3)14-19)36-30-37-28(34-9-7-11-43-5)26(29(38-30)35-10-8-12-44-6)39-40-27-24(15-31)22(4)42(41-27)23-16-32-18-33-17-23;1-16-5-6-20(17(2)11-16)33-27-34-25(31-8-7-22(40)41)23(26(35-27)32-18(3)15-42-4)36-37-24-19(12-28)14-39(38-24)21-13-29-9-10-30-21;1-17(15-38-4)29-24-21(23(28-11-8-12-37-3)31-25(32-24)30-18(2)16-39-5)33-34-22-19(13-26)14-36(35-22)20-9-6-7-10-27-20;2-1-3/h8-9,12-13,18-19H,10-11,14-17H2,1-7H3,(H2,36,37,39,40);11-12,15-17H,9-10,13-14H2,1-8H3,(H3,35,36,38,39,40);6,8-9,12-13,15-16,23H,7,10-11,17-19H2,1-5H3,(H,45,46)(H3,36,37,38,39,40);13-14,16-18H,7-12H2,1-6H3,(H3,34,35,36,37,38);5-6,9-11,13-14,18H,7-8,15H2,1-4H3,(H,40,41)(H3,31,32,33,34,35);6-7,9-10,14,17-18H,8,11-12,15-16H2,1-5H3,(H3,28,29,30,31,32);/b3*42-41+;40-39+;37-36+;34-33+
• InChIKey: HDAPCRSAJXTZFP-VVHNTEOESA-N
• XLogP: 32.04
• TPSA: 1137.48 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 89
• Rotatable Bonds: 91
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3821.46
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	89

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid?

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid (CID 158442951) 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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid.

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid?

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid is CCc1c(C#N)c(/N=N/c2c(NCCCOC)nc(NC)nc2Nc2c(C)cc(C)cc2C)nn1-c1nc2cc(S(=O)(=O)N(C)C)ccc2s1.COCC(C)Nc1nc(Nc2c(C)cc(C)cc2C)nc(NCCCOC(=O)COCC(=O)O)c1/N=N/c1nn(-c2cccnc2)cc1C#N.COCC(C)Nc1nc(Nc2ccc(C)cc2C)nc(NCCC(=O)O)c1/N=N/c1nn(-c2cnccn2)cc1C#N.COCCCNc1nc(N(C)c2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2nc3ccccc3s2)c(C)c1C#N.COCCCNc1nc(NC(C)COC)nc(NC(C)COC)c1/N=N/c1nn(-c2ccccn2)cc1C#N.COCCCNc1nc(Nc2c(C)cc(C)cc2C)nc(NCCCOC)c1/N=N/c1nn(-c2cncnc2)c(C)c1C#N.O=C=O.

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid?

The InChIKey is HDAPCRSAJXTZFP-VVHNTEOESA-N. The full InChI is InChI=1S/C34H41N11O2S.C33H40N12O3S2.C33H39N11O6.C30H38N12O2.C27H30N12O3.C25H35N11O3.CO2/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;1-9-25-23(18-34)29(43-45(25)33-37-24-17-22(11-12-26(24)49-33)50(46,47)44(6)7)42-41-28-30(36-13-10-14-48-8)39-32(35-5)40-31(28)38-27-20(3)15-19(2)16-21(27)4;1-20-12-21(2)28(22(3)13-20)38-33-39-31(36-10-7-11-50-27(47)19-49-18-26(45)46)29(32(40-33)37-23(4)17-48-5)41-42-30-24(14-34)16-44(43-30)25-8-6-9-35-15-25;1-19-13-20(2)25(21(3)14-19)36-30-37-28(34-9-7-11-43-5)26(29(38-30)35-10-8-12-44-6)39-40-27-24(15-31)22(4)42(41-27)23-16-32-18-33-17-23;1-16-5-6-20(17(2)11-16)33-27-34-25(31-8-7-22(40)41)23(26(35-27)32-18(3)15-42-4)36-37-24-19(12-28)14-39(38-24)21-13-29-9-10-30-21;1-17(15-38-4)29-24-21(23(28-11-8-12-37-3)31-25(32-24)30-18(2)16-39-5)33-34-22-19(13-26)14-36(35-22)20-9-6-7-10-27-20;2-1-3/h8-9,12-13,18-19H,10-11,14-17H2,1-7H3,(H2,36,37,39,40);11-12,15-17H,9-10,13-14H2,1-8H3,(H3,35,36,38,39,40);6,8-9,12-13,15-16,23H,7,10-11,17-19H2,1-5H3,(H,45,46)(H3,36,37,38,39,40);13-14,16-18H,7-12H2,1-6H3,(H3,34,35,36,37,38);5-6,9-11,13-14,18H,7-8,15H2,1-4H3,(H,40,41)(H3,31,32,33,34,35);6-7,9-10,14,17-18H,8,11-12,15-16H2,1-5H3,(H3,28,29,30,31,32);/b3*42-41+;40-39+;37-36+;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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid?

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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid has a molecular weight of 3821.46 g/mol, XLogP of 32.04, 91 rotatable bonds, 19 hydrogen bond donors, and 89 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-[[2,4-bis(1-methoxypropan-2-ylamino)-6-(3-methoxypropylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4,6-bis(3-methoxypropylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-methyl-1-pyrimidin-5-ylpyrazole-4-carbonitrile;carbon dioxide;2-[4-cyano-5-ethyl-3-[[4-(3-methoxypropylamino)-2-(methylamino)-6-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]pyrazol-1-yl]-N,N-dimethyl-1,3-benzothiazole-5-sulfonamide;3-[[5-[(4-cyano-1-pyrazin-2-ylpyrazol-3-yl)diazenyl]-2-(2,4-dimethylanilino)-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid;2-[2-[3-[[5-[(4-cyano-1-pyridin-3-ylpyrazol-3-yl)diazenyl]-6-(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]propoxy]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 158442951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).