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

C40H34N10O5 — CID 134463050

IUPAC6-[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
SMILESCOc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=N/c4ccc(N5CCc6c(C(N)=O)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1
InChIInChI=1S/C40H34N10O5/c1-24-3-9-29(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,42,46,51)/b44-43+
InChIKeyGVEZOUZWEHVVGL-VGFSZAGXSA-N
MW734.78 g/mol
LogP5.86
Rot. Bonds10

About 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

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 134463050) has the molecular formula C40H34N10O5 and a molecular weight of 734.78 g/mol. Its IUPAC name is 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 Name6-[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 CID134463050
Molecular FormulaC40H34N10O5
Molecular Weight734.78 g/mol
Exact Mass734.27
IUPAC Name6-[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
SMILESCOc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=N/c4ccc(N5CCc6c(C(N)=O)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1
InChIInChI=1S/C40H34N10O5/c1-24-3-9-29(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,42,46,51)/b44-43+
InChIKeyGVEZOUZWEHVVGL-VGFSZAGXSA-N
XLogP5.86
TPSA182.40 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.78
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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 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 134463050) is 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 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 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.
What is the InChIKey of 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 GVEZOUZWEHVVGL-VGFSZAGXSA-N. The full InChI is InChI=1S/C40H34N10O5/c1-24-3-9-29(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,42,46,51)/b44-43+.
What are the key properties of 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?
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 734.78 g/mol, XLogP of 5.86, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 134463050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).