4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide

C23H21F3N4O4 — CID 108798253

IUPAC4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c(O)cc2=O)c1
InChIInChI=1S/C23H21F3N4O4/c1-14-3-2-4-16(11-14)30-20(32)13-19(31)21(28-30)22(33)27-17-12-15(23(24,25)26)5-6-18(17)29-7-9-34-10-8-29/h2-6,11-13,31H,7-10H2,1H3,(H,27,33)
InChIKeyNVFQHXVQLCRPBS-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.35
Rot. Bonds4

About 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide

4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 108798253) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID108798253
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c(O)cc2=O)c1
InChIInChI=1S/C23H21F3N4O4/c1-14-3-2-4-16(11-14)30-20(32)13-19(31)21(28-30)22(33)27-17-12-15(23(24,25)26)5-6-18(17)29-7-9-34-10-8-29/h2-6,11-13,31H,7-10H2,1H3,(H,27,33)
InChIKeyNVFQHXVQLCRPBS-UHFFFAOYSA-N
XLogP3.35
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 4858316
N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 17582082
5-hydroxy-2-(4-methylphenyl)-6-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridazin-3(2H)-one
CID 56869418
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108805353
1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 2120864
6-(4-Benzylpiperazin-4-ium-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 8556723
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16273092
5-Methoxy-2-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2,3-dihydropyridazin-3-one
CID 18568899
5-methoxy-2-(p-tolyl)-6-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbonyl)pyridazin-3(2H)-one
CID 18568926
2-(4-Fluorophenyl)-5-methoxy-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2,3-dihydropyridazin-3-one
CID 18568944
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 24392959
6-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 40010219

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide (CID 108798253) is 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c(O)cc2=O)c1.
What is the InChIKey of 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is NVFQHXVQLCRPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-14-3-2-4-16(11-14)30-20(32)13-19(31)21(28-30)22(33)27-17-12-15(23(24,25)26)5-6-18(17)29-7-9-34-10-8-29/h2-6,11-13,31H,7-10H2,1H3,(H,27,33).
What are the key properties of 4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide?
4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.35, 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-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108798253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).