5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile

C99H106N52S — CID 159623185

About 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile

5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (PubChem CID 159623185) has the molecular formula C99H106N52S and a molecular weight of 2056.37 g/mol. Its IUPAC name is 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
• PubChem CID: 159623185
• Molecular Formula: C99H106N52S
• Molecular Weight: 2056.37 g/mol
• Exact Mass: 2054.96
• IUPAC Name: 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
• SMILES: CNc1cc(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c(N2CCCC2)n1.CNc1nc(N2CCCCC2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(N2CCCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(N2CCN(C)CC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(N2CCSCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
• InChI: InChI=1S/C21H21N11.C20H23N11.C20H22N10.C19H20N10S.C19H20N10/c1-14-16(12-23)20(31-9-4-3-5-10-31)28-18(24-2)17(14)29-30-19-15(11-22)13-27-32(19)21-25-7-6-8-26-21;1-14-11-16(30-9-7-29(3)8-10-30)26-18(22-2)17(14)27-28-19-15(12-21)13-25-31(19)20-23-5-4-6-24-20;1-14-11-16(29-9-4-3-5-10-29)26-18(22-2)17(14)27-28-19-15(12-21)13-25-30(19)20-23-7-6-8-24-20;1-13-10-15(28-6-8-30-9-7-28)25-17(21-2)16(13)26-27-18-14(11-20)12-24-29(18)19-22-4-3-5-23-19;1-13-10-15(21-2)25-18(28-8-3-4-9-28)16(13)26-27-17-14(11-20)12-24-29(17)19-22-6-5-7-23-19/h6-8,13H,3-5,9-10H2,1-2H3,(H,24,28);4-6,11,13H,7-10H2,1-3H3,(H,22,26);6-8,11,13H,3-5,9-10H2,1-2H3,(H,22,26);3-5,10,12H,6-9H2,1-2H3,(H,21,25);5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,25)/b30-29+;2*28-27+;2*27-26+
• InChIKey: MODQJEORLQSAOZ-TWUDLPJHSA-N
• XLogP: 16.23
• TPSA: 628.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 53
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2056.37
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

The IUPAC name of 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (CID 159623185) is 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

What is the SMILES notation for 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

The canonical SMILES for 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is CNc1cc(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c(N2CCCC2)n1.CNc1nc(N2CCCCC2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(N2CCCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(N2CCN(C)CC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(N2CCSCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.

What is the InChIKey of 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

The InChIKey is MODQJEORLQSAOZ-TWUDLPJHSA-N. The full InChI is InChI=1S/C21H21N11.C20H23N11.C20H22N10.C19H20N10S.C19H20N10/c1-14-16(12-23)20(31-9-4-3-5-10-31)28-18(24-2)17(14)29-30-19-15(11-22)13-27-32(19)21-25-7-6-8-26-21;1-14-11-16(30-9-7-29(3)8-10-30)26-18(22-2)17(14)27-28-19-15(12-21)13-25-31(19)20-23-5-4-6-24-20;1-14-11-16(29-9-4-3-5-10-29)26-18(22-2)17(14)27-28-19-15(12-21)13-25-30(19)20-23-7-6-8-24-20;1-13-10-15(28-6-8-30-9-7-28)25-17(21-2)16(13)26-27-18-14(11-20)12-24-29(18)19-22-4-3-5-23-19;1-13-10-15(21-2)25-18(28-8-3-4-9-28)16(13)26-27-17-14(11-20)12-24-29(17)19-22-6-5-7-23-19/h6-8,13H,3-5,9-10H2,1-2H3,(H,24,28);4-6,11,13H,7-10H2,1-3H3,(H,22,26);6-8,11,13H,3-5,9-10H2,1-2H3,(H,22,26);3-5,10,12H,6-9H2,1-2H3,(H,21,25);5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,25)/b30-29+;2*28-27+;2*27-26+.

What are the key properties of 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?

5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile has a molecular weight of 2056.37 g/mol, XLogP of 16.23, 25 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-piperidin-1-ylpyridine-3-carbonitrile;5-[[4-methyl-2-(methylamino)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-piperidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-6-(methylamino)-2-pyrrolidin-1-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 159623185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).