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

C16H11ClFN3O2S — CID 55632306

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11ClFN3O2S/c17-14-7-5-12(24-14)9-19-16(23)13-6-8-15(22)21(20-13)11-3-1-10(18)2-4-11/h1-8H,9H2,(H,19,23)
InChIKeyAUAGYIRZNXIKTF-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.02
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 55632306) has the molecular formula C16H11ClFN3O2S and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID55632306
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H11ClFN3O2S/c17-14-7-5-12(24-14)9-19-16(23)13-6-8-15(22)21(20-13)11-3-1-10(18)2-4-11/h1-8H,9H2,(H,19,23)
InChIKeyAUAGYIRZNXIKTF-UHFFFAOYSA-N
XLogP3.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55633633
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55630714
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
CID 55720325
1-(4-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55635456
1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 55630949
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 55632306) is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is O=C(NCc1ccc(Cl)s1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is AUAGYIRZNXIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c17-14-7-5-12(24-14)9-19-16(23)13-6-8-15(22)21(20-13)11-3-1-10(18)2-4-11/h1-8H,9H2,(H,19,23).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55632306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).