N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide

C22H16FN3O2S — CID 133286232

IUPACN-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Oc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C22H16FN3O2S/c1-14-12-13-29-21(14)22(27)24-17-6-8-18(9-7-17)28-20-11-10-19(25-26-20)15-2-4-16(23)5-3-15/h2-13H,1H3,(H,24,27)
InChIKeyZZPBSQJXSWLSTG-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.70
Rot. Bonds5

About N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide

N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 133286232) has the molecular formula C22H16FN3O2S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
PubChem CID133286232
Molecular FormulaC22H16FN3O2S
Molecular Weight405.45 g/mol
Exact Mass405.09
IUPAC NameN-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Oc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C22H16FN3O2S/c1-14-12-13-29-21(14)22(27)24-17-6-8-18(9-7-17)28-20-11-10-19(25-26-20)15-2-4-16(23)5-3-15/h2-13H,1H3,(H,24,27)
InChIKeyZZPBSQJXSWLSTG-UHFFFAOYSA-N
XLogP5.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide
CID 133288175
3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide
CID 133286212
N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286237
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
CID 46386967
N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593583
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122307107
3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
CID 122306729

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide (CID 133286232) is N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(Oc2ccc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is ZZPBSQJXSWLSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S/c1-14-12-13-29-21(14)22(27)24-17-6-8-18(9-7-17)28-20-11-10-19(25-26-20)15-2-4-16(23)5-3-15/h2-13H,1H3,(H,24,27).
What are the key properties of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide?
N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 133286232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).