4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

C20H14IN5O2 — CID 122309931

IUPAC4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C20H14IN5O2/c21-15-4-2-14(3-5-15)20(27)25-16-6-8-17(9-7-16)28-19-12-18(22-13-23-19)26-11-1-10-24-26/h1-13H,(H,25,27)
InChIKeyPYAPMDFSJFCONC-UHFFFAOYSA-N
MW483.27 g/mol
LogP4.31
Rot. Bonds5

About 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 122309931) has the molecular formula C20H14IN5O2 and a molecular weight of 483.27 g/mol. Its IUPAC name is 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID122309931
Molecular FormulaC20H14IN5O2
Molecular Weight483.27 g/mol
Exact Mass483.02
IUPAC Name4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C20H14IN5O2/c21-15-4-2-14(3-5-15)20(27)25-16-6-8-17(9-7-16)28-19-12-18(22-13-23-19)26-11-1-10-24-26/h1-13H,(H,25,27)
InChIKeyPYAPMDFSJFCONC-UHFFFAOYSA-N
XLogP4.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]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

3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309820
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
3-nitro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309934
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122309615
4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122309612
1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309727
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (CID 122309931) is 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is O=C(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is PYAPMDFSJFCONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14IN5O2/c21-15-4-2-14(3-5-15)20(27)25-16-6-8-17(9-7-16)28-19-12-18(22-13-23-19)26-11-1-10-24-26/h1-13H,(H,25,27).
What are the key properties of 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 483.27 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122309931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).