4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide

C22H18N4O3S — CID 108809192

IUPAC4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)c(O)cc2=O)c1
InChIInChI=1S/C22H18N4O3S/c1-13-4-3-5-17(10-13)26-20(28)11-19(27)21(25-26)22(29)24-16-8-6-15(7-9-16)18-12-30-14(2)23-18/h3-12,27H,1-2H3,(H,24,29)
InChIKeyIHANCLXWZRFNCX-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.93
Rot. Bonds4

About 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide

4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 108809192) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID108809192
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)c(O)cc2=O)c1
InChIInChI=1S/C22H18N4O3S/c1-13-4-3-5-17(10-13)26-20(28)11-19(27)21(25-26)22(29)24-16-8-6-15(7-9-16)18-12-30-14(2)23-18/h3-12,27H,1-2H3,(H,24,29)
InChIKeyIHANCLXWZRFNCX-UHFFFAOYSA-N
XLogP3.93
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108798296
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785157
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 108809251
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798308
4-hydroxy-1-(3-methylphenyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-6-oxopyridazine-3-carboxamide
CID 108809208
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide (CID 108809192) is 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)c(O)cc2=O)c1.
What is the InChIKey of 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is IHANCLXWZRFNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-13-4-3-5-17(10-13)26-20(28)11-19(27)21(25-26)22(29)24-16-8-6-15(7-9-16)18-12-30-14(2)23-18/h3-12,27H,1-2H3,(H,24,29).
What are the key properties of 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108809192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).