4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

C21H16FN5O2 — CID 122305014

IUPAC4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)n1
InChIInChI=1S/C21H16FN5O2/c1-14-12-13-27(26-14)19-10-11-20(25-24-19)29-18-8-6-17(7-9-18)23-21(28)15-2-4-16(22)5-3-15/h2-13H,1H3,(H,23,28)
InChIKeyRGUNHYYCUFVUFH-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.15
Rot. Bonds5

About 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (PubChem CID 122305014) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
PubChem CID122305014
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)n1
InChIInChI=1S/C21H16FN5O2/c1-14-12-13-27(26-14)19-10-11-20(25-24-19)29-18-8-6-17(7-9-18)23-21(28)15-2-4-16(22)5-3-15/h2-13H,1H3,(H,23,28)
InChIKeyRGUNHYYCUFVUFH-UHFFFAOYSA-N
XLogP4.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305003
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122305218
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122305201
3-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]propanamide
CID 122305197
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122305340
4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122305050
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (CID 122305014) is 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)n1.
What is the InChIKey of 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The InChIKey is RGUNHYYCUFVUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-14-12-13-27(26-14)19-10-11-20(25-24-19)29-18-8-6-17(7-9-18)23-21(28)15-2-4-16(22)5-3-15/h2-13H,1H3,(H,23,28).
What are the key properties of 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide has a molecular weight of 389.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122305014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).