N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide

C18H15ClFN3O2S — CID 51230221

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)s2)nn1-c1ccccc1F
InChIInChI=1S/C18H15ClFN3O2S/c1-11-9-15(24)17(21-23(11)14-6-4-3-5-13(14)20)18(25)22(2)10-12-7-8-16(19)26-12/h3-9H,10H2,1-2H3
InChIKeyRSKXUQAGWPQFTO-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.67
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide (PubChem CID 51230221) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
PubChem CID51230221
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)s2)nn1-c1ccccc1F
InChIInChI=1S/C18H15ClFN3O2S/c1-11-9-15(24)17(21-23(11)14-6-4-3-5-13(14)20)18(25)22(2)10-12-7-8-16(19)26-12/h3-9H,10H2,1-2H3
InChIKeyRSKXUQAGWPQFTO-UHFFFAOYSA-N
XLogP3.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-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-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 38661301
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 8933859
N-(3-amino-2,2-dimethylpropyl)-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide;hydrochloride
CID 119654876
N-[2-(3-fluoroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 27794933
1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
CID 18120193
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 18117326
1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 18114180
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
CID 110887162
1-(2-fluorophenyl)-N-[1-(2-hydroxyphenyl)ethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 71847040

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide (CID 51230221) is N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)s2)nn1-c1ccccc1F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The InChIKey is RSKXUQAGWPQFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-11-9-15(24)17(21-23(11)14-6-4-3-5-13(14)20)18(25)22(2)10-12-7-8-16(19)26-12/h3-9H,10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51230221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).