6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide

C18H15ClFN3O3S — CID 155337548

IUPAC6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2ccc(F)s2)c1=O
InChIInChI=1S/C18H15ClFN3O3S/c1-10(9-24)21-17(25)13-8-14(11-2-4-12(19)5-3-11)22-23(18(13)26)16-7-6-15(20)27-16/h2-8,10,24H,9H2,1H3,(H,21,25)
InChIKeySOPQHKMKLHPXPO-UHFFFAOYSA-N
MW407.85 g/mol
LogP2.86
Rot. Bonds5

About 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide

6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 155337548) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide
PubChem CID155337548
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC Name6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2ccc(F)s2)c1=O
InChIInChI=1S/C18H15ClFN3O3S/c1-10(9-24)21-17(25)13-8-14(11-2-4-12(19)5-3-11)22-23(18(13)26)16-7-6-15(20)27-16/h2-8,10,24H,9H2,1H3,(H,21,25)
InChIKeySOPQHKMKLHPXPO-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-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-(4-chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 138634063
6-[6-(4-fluorophenyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518069
2-chloro-6-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 138634227
N-[(2R)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304788
6-(4-chlorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 135304175
6-(4-chlorophenyl)-2-(3,5-dichlorophenyl)-4-[(3R)-4-hydroxy-3-methylbutanoyl]pyridazin-3-one
CID 158167730
6-[4-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155337552
6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303921
6-(4-chlorophenyl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-3-oxo-2-(1,2-thiazol-4-yl)pyridazine-4-carboxamide
CID 142411098
6-(4-chlorophenyl)-2-(3,5-difluorophenyl)-3-oxo-N-[(2S)-1,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 175383176
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 164896875

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide (CID 155337548) is 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide is CC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2ccc(F)s2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide?
The InChIKey is SOPQHKMKLHPXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c1-10(9-24)21-17(25)13-8-14(11-2-4-12(19)5-3-11)22-23(18(13)26)16-7-6-15(20)27-16/h2-8,10,24H,9H2,1H3,(H,21,25).
What are the key properties of 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide?
6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 407.85 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(5-fluorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 155337548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).