bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide

C108H72N46O10 — CID 161054189

About bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide

bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide (PubChem CID 161054189) has the molecular formula C108H72N46O10 and a molecular weight of 2174.08 g/mol. Its IUPAC name is bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
• PubChem CID: 161054189
• Molecular Formula: C108H72N46O10
• Molecular Weight: 2174.08 g/mol
• Exact Mass: 2172.65
• IUPAC Name: bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
• SMILES: [C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)NC)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)NC)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(C)[nH]n2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccncc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ncn[nH]2)cc2ccccc12
• InChI: InChI=1S/C24H15N9O2.C23H16N10O2.C21H13N11O2.2C20H14N8O2/c1-25-19-14-29-33(24-27-9-4-10-28-24)22(19)32-31-20-17-6-3-2-5-15(17)13-18(21(20)34)23(35)30-16-7-11-26-12-8-16;1-13-10-18(30-29-13)28-22(35)16-11-14-6-3-4-7-15(14)19(20(16)34)31-32-21-17(24-2)12-27-33(21)23-25-8-5-9-26-23;1-22-15-10-27-32(21-23-7-4-8-24-21)18(15)30-29-16-13-6-3-2-5-12(13)9-14(17(16)33)19(34)28-20-25-11-26-31-20;2*1-21-15-11-25-28(20-23-8-5-9-24-20)18(15)27-26-16-13-7-4-3-6-12(13)10-14(17(16)29)19(30)22-2/h2-14,34H,(H,26,30,35);3-12,34H,1H3,(H2,28,29,30,35);2-11,33H,(H2,25,26,28,31,34);2*3-11,29H,2H3,(H,22,30)/b2*32-31+;30-29+;2*27-26+
• InChIKey: UCNIOEXTALKGLN-CCXBGKPOSA-N
• XLogP: 21.46
• TPSA: 693.19 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.08
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', '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 bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide?

The IUPAC name of bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide (CID 161054189) is bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide.

What is the SMILES notation for bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide?

The canonical SMILES for bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide is [C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)NC)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)NC)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(C)[nH]n2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccncc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ncn[nH]2)cc2ccccc12.

What is the InChIKey of bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide?

The InChIKey is UCNIOEXTALKGLN-CCXBGKPOSA-N. The full InChI is InChI=1S/C24H15N9O2.C23H16N10O2.C21H13N11O2.2C20H14N8O2/c1-25-19-14-29-33(24-27-9-4-10-28-24)22(19)32-31-20-17-6-3-2-5-15(17)13-18(21(20)34)23(35)30-16-7-11-26-12-8-16;1-13-10-18(30-29-13)28-22(35)16-11-14-6-3-4-7-15(14)19(20(16)34)31-32-21-17(24-2)12-27-33(21)23-25-8-5-9-26-23;1-22-15-10-27-32(21-23-7-4-8-24-21)18(15)30-29-16-13-6-3-2-5-12(13)9-14(17(16)33)19(34)28-20-25-11-26-31-20;2*1-21-15-11-25-28(20-23-8-5-9-24-20)18(15)27-26-16-13-7-4-3-6-12(13)10-14(17(16)29)19(30)22-2/h2-14,34H,(H,26,30,35);3-12,34H,1H3,(H2,28,29,30,35);2-11,33H,(H2,25,26,28,31,34);2*3-11,29H,2H3,(H,22,30)/b2*32-31+;30-29+;2*27-26+.

What are the key properties of bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide?

bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide has a molecular weight of 2174.08 g/mol, XLogP of 21.46, 23 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-methylnaphthalene-2-carboxamide);3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-4-ylnaphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 161054189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).