3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

C26H19FN6O2 — CID 122290727

IUPAC3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C26H19FN6O2/c27-19-5-11-22(12-6-19)35-23-4-1-3-18(15-23)26(34)32-21-9-7-20(8-10-21)31-24-16-25(29-17-28-24)33-14-2-13-30-33/h1-17H,(H,32,34)(H,28,29,31)
InChIKeyBEANNNXCJZIWIU-UHFFFAOYSA-N
MW466.48 g/mol
LogP5.59
Rot. Bonds7

About 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 122290727) has the molecular formula C26H19FN6O2 and a molecular weight of 466.48 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID122290727
Molecular FormulaC26H19FN6O2
Molecular Weight466.48 g/mol
Exact Mass466.16
IUPAC Name3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C26H19FN6O2/c27-19-5-11-22(12-6-19)35-23-4-1-3-18(15-23)26(34)32-21-9-7-20(8-10-21)31-24-16-25(29-17-28-24)33-14-2-13-30-33/h1-17H,(H,32,34)(H,28,29,31)
InChIKeyBEANNNXCJZIWIU-UHFFFAOYSA-N
XLogP5.59
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122290660
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122290573
3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309820
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122290654
3-nitro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309934
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 122290727) is 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is BEANNNXCJZIWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O2/c27-19-5-11-22(12-6-19)35-23-4-1-3-18(15-23)26(34)32-21-9-7-20(8-10-21)31-24-16-25(29-17-28-24)33-14-2-13-30-33/h1-17H,(H,32,34)(H,28,29,31).
What are the key properties of 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 466.48 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122290727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).