[4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C80H68N20O11 — CID 157273255

About [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

[4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 157273255) has the molecular formula C80H68N20O11 and a molecular weight of 1485.55 g/mol. Its IUPAC name is [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 157273255
• Molecular Formula: C80H68N20O11
• Molecular Weight: 1485.55 g/mol
• Exact Mass: 1484.54
• IUPAC Name: [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=N/c4ccc(N5CCc6c(C(N)=O)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1.COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=[N+](\[O-])c4ccc(N5CCc6c(C(N)=O)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1
• InChI: InChI=1S/C40H34N10O6.C40H34N10O5/c1-24-3-7-28(8-4-24)48-35-32(34(44-48)37(41)52)19-21-46(39(35)53)27-11-13-30(14-12-27)50(55)43-25-5-9-26(10-6-25)47-22-20-33-36(40(47)54)49(45-38(33)42-23-51)29-15-17-31(56-2)18-16-29;1-24-3-9-29(10-4-24)49-35-32(34(45-49)37(41)52)19-21-47(39(35)53)27-11-5-25(6-12-27)43-44-26-7-13-28(14-8-26)48-22-20-33-36(40(48)54)50(46-38(33)42-23-51)30-15-17-31(55-2)18-16-30/h3-18,23H,19-22H2,1-2H3,(H2,41,52)(H,42,45,51);3-18,23H,19-22H2,1-2H3,(H2,41,52)(H,42,46,51)/b50-43-;44-43+
• InChIKey: AYUBCDQYHZELCP-UIOXNSDSSA-N
• XLogP: 11.24
• TPSA: 378.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1485.55
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 157273255) is [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=N/c4ccc(N5CCc6c(C(N)=O)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1.COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=[N+](\[O-])c4ccc(N5CCc6c(C(N)=O)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1.

What is the InChIKey of [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is AYUBCDQYHZELCP-UIOXNSDSSA-N. The full InChI is InChI=1S/C40H34N10O6.C40H34N10O5/c1-24-3-7-28(8-4-24)48-35-32(34(44-48)37(41)52)19-21-46(39(35)53)27-11-13-30(14-12-27)50(55)43-25-5-9-26(10-6-25)47-22-20-33-36(40(47)54)49(45-38(33)42-23-51)29-15-17-31(56-2)18-16-29;1-24-3-9-29(10-4-24)49-35-32(34(45-49)37(41)52)19-21-47(39(35)53)27-11-5-25(6-12-27)43-44-26-7-13-28(14-8-26)48-22-20-33-36(40(48)54)50(46-38(33)42-23-51)30-15-17-31(55-2)18-16-30/h3-18,23H,19-22H2,1-2H3,(H2,41,52)(H,42,45,51);3-18,23H,19-22H2,1-2H3,(H2,41,52)(H,42,46,51)/b50-43-;44-43+.

What are the key properties of [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

[4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 1485.55 g/mol, XLogP of 11.24, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-carbamoyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imino-oxidoazanium;6-[4-[[4-[3-formamido-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 157273255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).