Skip to content

4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine

C24H25N7O — CID 156832171

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(/C=C/c4ccnn4C)n3)n2)c1
InChIInChI=1S/C24H25N7O/c1-18-4-3-5-19(16-18)21-9-11-31(28-21)24-17-23(30-12-14-32-15-13-30)26-22(27-24)7-6-20-8-10-25-29(20)2/h3-11,16-17H,12-15H2,1-2H3/b7-6+
InChIKeyUOJGFGVTGQHEBS-VOTSOKGWSA-N
MW427.51 g/mol
LogP3.38
Rot. Bonds5

About 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine

4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine (PubChem CID 156832171) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
PubChem CID156832171
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(/C=C/c4ccnn4C)n3)n2)c1
InChIInChI=1S/C24H25N7O/c1-18-4-3-5-19(16-18)21-9-11-31(28-21)24-17-23(30-12-14-32-15-13-30)26-22(27-24)7-6-20-8-10-25-29(20)2/h3-11,16-17H,12-15H2,1-2H3/b7-6+
InChIKeyUOJGFGVTGQHEBS-VOTSOKGWSA-N
XLogP3.38
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine (CID 156832171) is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(/C=C/c4ccnn4C)n3)n2)c1.
What is the InChIKey of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?
The InChIKey is UOJGFGVTGQHEBS-VOTSOKGWSA-N. The full InChI is InChI=1S/C24H25N7O/c1-18-4-3-5-19(16-18)21-9-11-31(28-21)24-17-23(30-12-14-32-15-13-30)26-22(27-24)7-6-20-8-10-25-29(20)2/h3-11,16-17H,12-15H2,1-2H3/b7-6+.
What are the key properties of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine has a molecular weight of 427.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.