Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate

C₆₃H₅₀N₁₄O₆ — CID 123221134

About Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate

Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate (PubChem CID 123221134) has the molecular formula C₆₃H₅₀N₁₄O₆ and a molecular weight of 1099.18 g/mol. Its IUPAC name is methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate.

Molecular Properties

• Compound Name: Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
• PubChem CID: 123221134
• Molecular Formula: C₆₃H₅₀N₁₄O₆
• Molecular Weight: 1099.18 g/mol
• Exact Mass: 1098.40
• IUPAC Name: methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
• SMILES: CCn1c2ccccc2c2cc(NC(=O)c3cc4ccc(-c5ccc(N6NC(C)C(C(=O)OC)=C6/N=N/c6c(O)c(C(=O)Nc7ccccc7)cc7ccccc67)nc5)cc4c(NN(C)c4c(C#N)cnn4-c4ccccn4)c3O)ccc21
• InChI: InChI=1S/C63H50N14O6/c1-5-75-50-20-12-11-19-45(50)47-32-43(25-26-51(47)75)69-61(81)49-31-39-23-22-37(29-46(39)56(58(49)79)73-74(3)62-41(33-64)35-67-77(62)52-21-13-14-28-65-52)40-24-27-53(66-34-40)76-59(54(36(2)72-76)63(82)83-4)71-70-55-44-18-10-9-15-38(44)30-48(57(55)78)60(80)68-42-16-7-6-8-17-42/h6-32,34-36,72-73,78-79H,5H2,1-4H3,(H,68,80)(H,69,81)/b71-70+
• InChIKey: FUAGXUYUOWRMEO-ZCHAKFSJSA-N
• XLogP: 11.90
• TPSA: 252.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1099.18
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?

The IUPAC name of Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate (CID 123221134) is methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate.

What is the SMILES notation for Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?

The canonical SMILES for Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate is CCn1c2ccccc2c2cc(NC(=O)c3cc4ccc(-c5ccc(N6NC(C)C(C(=O)OC)=C6/N=N/c6c(O)c(C(=O)Nc7ccccc7)cc7ccccc67)nc5)cc4c(NN(C)c4c(C#N)cnn4-c4ccccn4)c3O)ccc21.

What is the InChIKey of Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?

The InChIKey is FUAGXUYUOWRMEO-ZCHAKFSJSA-N. The full InChI is InChI=1S/C63H50N14O6/c1-5-75-50-20-12-11-19-45(50)47-32-43(25-26-51(47)75)69-61(81)49-31-39-23-22-37(29-46(39)56(58(49)79)73-74(3)62-41(33-64)35-67-77(62)52-21-13-14-28-65-52)40-24-27-53(66-34-40)76-59(54(36(2)72-76)63(82)83-4)71-70-55-44-18-10-9-15-38(44)30-48(57(55)78)60(80)68-42-16-7-6-8-17-42/h6-32,34-36,72-73,78-79H,5H2,1-4H3,(H,68,80)(H,69,81)/b71-70+.

What are the key properties of Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?

Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate has a molecular weight of 1099.18 g/mol, XLogP of 11.90, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 123221134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123221134 — identifiers, structure, computed properties (public domain)

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