3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide

C27H23N5O6S — CID 175490312

IUPAC3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
SMILESCOc1ccc(-c2nnc(Oc3ccc(C#N)cc3OC)c(C(=O)Nc3cccc(S(C)(=O)=O)c3)c2C)cn1
InChIInChI=1S/C27H23N5O6S/c1-16-24(26(33)30-19-6-5-7-20(13-19)39(4,34)35)27(38-21-10-8-17(14-28)12-22(21)36-2)32-31-25(16)18-9-11-23(37-3)29-15-18/h5-13,15H,1-4H3,(H,30,33)
InChIKeyGPOMUFJQVWHOMV-UHFFFAOYSA-N
MW545.58 g/mol
LogP4.18
Rot. Bonds8

About 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide

3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide (PubChem CID 175490312) has the molecular formula C27H23N5O6S and a molecular weight of 545.58 g/mol. Its IUPAC name is 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
PubChem CID175490312
Molecular FormulaC27H23N5O6S
Molecular Weight545.58 g/mol
Exact Mass545.14
IUPAC Name3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
SMILESCOc1ccc(-c2nnc(Oc3ccc(C#N)cc3OC)c(C(=O)Nc3cccc(S(C)(=O)=O)c3)c2C)cn1
InChIInChI=1S/C27H23N5O6S/c1-16-24(26(33)30-19-6-5-7-20(13-19)39(4,34)35)27(38-21-10-8-17(14-28)12-22(21)36-2)32-31-25(16)18-9-11-23(37-3)29-15-18/h5-13,15H,1-4H3,(H,30,33)
InChIKeyGPOMUFJQVWHOMV-UHFFFAOYSA-N
XLogP4.18
TPSA153.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(4-cyano-2-methoxyphenoxy)-6-(4-cyanophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
CID 175490294
3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197611
3-(4-cyano-2-methoxyphenoxy)-6-(4-cyanophenyl)-5-methylpyridazine-4-carboxylic acid
CID 167198596
tert-butyl N-[[3-[[3-(4-cyano-2-methoxyphenoxy)-6-(2,2-difluorocyclopropyl)-5-methylpyridazine-4-carbonyl]amino]phenyl]-methyl-oxo-λ6-sulfanylidene]carbamate
CID 170650096
3-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199380
3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198443
3-(4-cyano-2,3-difluorophenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198399
4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467765
3-(3-fluoro-2,4-dimethylphenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197632
3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199253
3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197861
3-[5-(1-cyanocyclopropyl)-3-methoxypyrazin-2-yl]oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199136

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide (CID 175490312) is 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide is COc1ccc(-c2nnc(Oc3ccc(C#N)cc3OC)c(C(=O)Nc3cccc(S(C)(=O)=O)c3)c2C)cn1.
What is the InChIKey of 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide?
The InChIKey is GPOMUFJQVWHOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O6S/c1-16-24(26(33)30-19-6-5-7-20(13-19)39(4,34)35)27(38-21-10-8-17(14-28)12-22(21)36-2)32-31-25(16)18-9-11-23(37-3)29-15-18/h5-13,15H,1-4H3,(H,30,33).
What are the key properties of 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide?
3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide has a molecular weight of 545.58 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 175490312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).