6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C21H20F3N3O2S — CID 46691904

IUPAC6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(c2cccs2)C(C)C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2S/c1-12(2)18(17-8-5-9-30-17)25-20(29)19-16(28)10-13(3)27(26-19)15-7-4-6-14(11-15)21(22,23)24/h4-12,18H,1-3H3,(H,25,29)
InChIKeyLTZPQFWEULVHFK-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.75
Rot. Bonds5

About 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 46691904) has the molecular formula C21H20F3N3O2S and a molecular weight of 435.47 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID46691904
Molecular FormulaC21H20F3N3O2S
Molecular Weight435.47 g/mol
Exact Mass435.12
IUPAC Name6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(c2cccs2)C(C)C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2S/c1-12(2)18(17-8-5-9-30-17)25-20(29)19-16(28)10-13(3)27(26-19)15-7-4-6-14(11-15)21(22,23)24/h4-12,18H,1-3H3,(H,25,29)
InChIKeyLTZPQFWEULVHFK-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-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

6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
N-(1-amino-3-methyl-1-oxopentan-2-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78814159
6-methyl-4-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8900552
6-methyl-N-(4-methylpentyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32628634
N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 120652808
N-(3-hydroxypropyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78821543
N-(2-fluorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27825520
N-cyclohexyl-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 9071191
N-(2-chlorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27824744
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55580859
N-[1-(aminomethyl)cyclopentyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119567731
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 60551870

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 46691904) is 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(c2cccs2)C(C)C)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is LTZPQFWEULVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2S/c1-12(2)18(17-8-5-9-30-17)25-20(29)19-16(28)10-13(3)27(26-19)15-7-4-6-14(11-15)21(22,23)24/h4-12,18H,1-3H3,(H,25,29).
What are the key properties of 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 46691904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).