4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

C107H80F3N23O17 — CID 158558521

About 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (PubChem CID 158558521) has the molecular formula C107H80F3N23O17 and a molecular weight of 2016.95 g/mol. Its IUPAC name is 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
• PubChem CID: 158558521
• Molecular Formula: C107H80F3N23O17
• Molecular Weight: 2016.95 g/mol
• Exact Mass: 2015.61
• IUPAC Name: 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
• SMILES: COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(NC=O)cc2)cc2cc(C(=O)Nc3ccc(NC=O)cc3)ccc12.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2OC)cc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc12.Cc1ccc(NC(=O)c2ccc3c(/N=N/c4c(C(N)=O)cnn4-c4ccccc4)c(O)c(C(=O)Nc4ccccc4)cc3c2)cc1
• InChI: InChI=1S/C37H28N8O7.C35H25F3N8O6.C35H27N7O4/c1-52-37(51)31-19-40-45(28-5-3-2-4-6-28)34(31)44-43-32-29-16-7-22(35(49)41-26-12-8-24(9-13-26)38-20-46)17-23(29)18-30(33(32)48)36(50)42-27-14-10-25(11-15-27)39-21-47;1-51-27-11-6-5-10-26(27)43-32(49)22-17-20-16-19(31(48)42-25-9-4-3-8-24(25)35(36,37)38)12-13-21(20)28(29(22)47)44-45-30-23(33(50)52-2)18-41-46(30)34-39-14-7-15-40-34;1-21-12-15-25(16-13-21)38-34(45)22-14-17-27-23(18-22)19-28(35(46)39-24-8-4-2-5-9-24)31(43)30(27)40-41-33-29(32(36)44)20-37-42(33)26-10-6-3-7-11-26/h2-21,48H,1H3,(H,38,46)(H,39,47)(H,41,49)(H,42,50);3-18,47H,1-2H3,(H,42,48)(H,43,49);2-20,43H,1H3,(H2,36,44)(H,38,45)(H,39,46)/b44-43+;45-44+;41-40+
• InChIKey: HQPBRKNHVBVAAD-ZSEUHQHKSA-N
• XLogP: 20.89
• TPSA: 551.81 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2016.95
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?

The IUPAC name of 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (CID 158558521) is 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.

What is the SMILES notation for 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?

The canonical SMILES for 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(NC=O)cc2)cc2cc(C(=O)Nc3ccc(NC=O)cc3)ccc12.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2OC)cc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc12.Cc1ccc(NC(=O)c2ccc3c(/N=N/c4c(C(N)=O)cnn4-c4ccccc4)c(O)c(C(=O)Nc4ccccc4)cc3c2)cc1.

What is the InChIKey of 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?

The InChIKey is HQPBRKNHVBVAAD-ZSEUHQHKSA-N. The full InChI is InChI=1S/C37H28N8O7.C35H25F3N8O6.C35H27N7O4/c1-52-37(51)31-19-40-45(28-5-3-2-4-6-28)34(31)44-43-32-29-16-7-22(35(49)41-26-12-8-24(9-13-26)38-20-46)17-23(29)18-30(33(32)48)36(50)42-27-14-10-25(11-15-27)39-21-47;1-51-27-11-6-5-10-26(27)43-32(49)22-17-20-16-19(31(48)42-25-9-4-3-8-24(25)35(36,37)38)12-13-21(20)28(29(22)47)44-45-30-23(33(50)52-2)18-41-46(30)34-39-14-7-15-40-34;1-21-12-15-25(16-13-21)38-34(45)22-14-17-27-23(18-22)19-28(35(46)39-24-8-4-2-5-9-24)31(43)30(27)40-41-33-29(32(36)44)20-37-42(33)26-10-6-3-7-11-26/h2-21,48H,1H3,(H,38,46)(H,39,47)(H,41,49)(H,42,50);3-18,47H,1-2H3,(H,42,48)(H,43,49);2-20,43H,1H3,(H2,36,44)(H,38,45)(H,39,46)/b44-43+;45-44+;41-40+.

What are the key properties of 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?

4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate has a molecular weight of 2016.95 g/mol, XLogP of 20.89, 29 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 158558521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).