N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

C51H38N8O9S2 — CID 135456571

IUPACN-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
SMILESCOc1cc(-c2cc(-c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(-c7cc(-c8ccc(O)c(OC)c8)c(C#N)c(N)n7)cc6)c5)c4)cc3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C51H38N8O9S2/c1-67-47-23-31(13-19-45(47)60)39-25-43(56-50(54)41(39)27-52)29-9-15-35(16-10-29)58-69(63,64)37-7-3-5-33(21-37)49(62)34-6-4-8-38(22-34)70(65,66)59-36-17-11-30(12-18-36)44-26-40(42(28-53)51(55)57-44)32-14-20-46(61)48(24-32)68-2/h3-26,58-61H,1-2H3,(H2,54,56)(H2,55,57)
InChIKeyWCPVSKNHGSBNHI-UHFFFAOYSA-N
MW971.05 g/mol
LogP8.31
Rot. Bonds14

About N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (PubChem CID 135456571) has the molecular formula C51H38N8O9S2 and a molecular weight of 971.05 g/mol. Its IUPAC name is N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
PubChem CID135456571
Molecular FormulaC51H38N8O9S2
Molecular Weight971.05 g/mol
Exact Mass970.22
IUPAC NameN-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
SMILESCOc1cc(-c2cc(-c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(-c7cc(-c8ccc(O)c(OC)c8)c(C#N)c(N)n7)cc6)c5)c4)cc3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C51H38N8O9S2/c1-67-47-23-31(13-19-45(47)60)39-25-43(56-50(54)41(39)27-52)29-9-15-35(16-10-29)58-69(63,64)37-7-3-5-33(21-37)49(62)34-6-4-8-38(22-34)70(65,66)59-36-17-11-30(12-18-36)44-26-40(42(28-53)51(55)57-44)32-14-20-46(61)48(24-32)68-2/h3-26,58-61H,1-2H3,(H2,54,56)(H2,55,57)
InChIKeyWCPVSKNHGSBNHI-UHFFFAOYSA-N
XLogP8.31
TPSA293.73 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500971.05
LogP ≤ 58.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10819582
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
N-[4-[6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]phenyl]-2-(5-benzoyl-1H-benzimidazol-2-yl)benzamide
CID 135548306
methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
CID 177295527
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
3-[6-amino-5-cyano-4-(4-methylsulfonylphenyl)-2-pyridinyl]benzoic acid
CID 56875045
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide
CID 11797833

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The IUPAC name of N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (CID 135456571) is N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The canonical SMILES for N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is COc1cc(-c2cc(-c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(-c7cc(-c8ccc(O)c(OC)c8)c(C#N)c(N)n7)cc6)c5)c4)cc3)nc(N)c2C#N)ccc1O.
What is the InChIKey of N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The InChIKey is WCPVSKNHGSBNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N8O9S2/c1-67-47-23-31(13-19-45(47)60)39-25-43(56-50(54)41(39)27-52)29-9-15-35(16-10-29)58-69(63,64)37-7-3-5-33(21-37)49(62)34-6-4-8-38(22-34)70(65,66)59-36-17-11-30(12-18-36)44-26-40(42(28-53)51(55)57-44)32-14-20-46(61)48(24-32)68-2/h3-26,58-61H,1-2H3,(H2,54,56)(H2,55,57).
What are the key properties of N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide has a molecular weight of 971.05 g/mol, XLogP of 8.31, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is sourced from PubChem (CID 135456571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).