2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide

C21H16FN5O2 — CID 122304670

IUPAC2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H16FN5O2/c22-16-4-2-15(3-5-16)14-20(28)24-17-6-8-18(9-7-17)29-21-11-10-19(25-26-21)27-13-1-12-23-27/h1-13H,14H2,(H,24,28)
InChIKeyIOZHHNBKAQYMIN-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.77
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide

2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide (PubChem CID 122304670) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
PubChem CID122304670
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H16FN5O2/c22-16-4-2-15(3-5-16)14-20(28)24-17-6-8-18(9-7-17)29-21-11-10-19(25-26-21)27-13-1-12-23-27/h1-13H,14H2,(H,24,28)
InChIKeyIOZHHNBKAQYMIN-UHFFFAOYSA-N
XLogP3.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307695
3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
CID 122304795
2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71799683
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
1-(3-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122304904
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide (CID 122304670) is 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The InChIKey is IOZHHNBKAQYMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-16-4-2-15(3-5-16)14-20(28)24-17-6-8-18(9-7-17)29-21-11-10-19(25-26-21)27-13-1-12-23-27/h1-13H,14H2,(H,24,28).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide has a molecular weight of 389.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122304670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).