3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

C21H16FN5O2 — CID 122309820

IUPAC3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccn4)ncn3)cc2)cc1F
InChIInChI=1S/C21H16FN5O2/c1-14-3-4-15(11-18(14)22)21(28)26-16-5-7-17(8-6-16)29-20-12-19(23-13-24-20)27-10-2-9-25-27/h2-13H,1H3,(H,26,28)
InChIKeyYUXJVEJCWCFMLT-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.15
Rot. Bonds5

About 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 122309820) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID122309820
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccn4)ncn3)cc2)cc1F
InChIInChI=1S/C21H16FN5O2/c1-14-3-4-15(11-18(14)22)21(28)26-16-5-7-17(8-6-16)29-20-12-19(23-13-24-20)27-10-2-9-25-27/h2-13H,1H3,(H,26,28)
InChIKeyYUXJVEJCWCFMLT-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-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
3-nitro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309934
5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 122309753
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312229
3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290727
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309727
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (CID 122309820) is 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccn4)ncn3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is YUXJVEJCWCFMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-14-3-4-15(11-18(14)22)21(28)26-16-5-7-17(8-6-16)29-20-12-19(23-13-24-20)27-10-2-9-25-27/h2-13H,1H3,(H,26,28).
What are the key properties of 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-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 3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122309820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).