4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine

C23H26N8O — CID 156832136

IUPAC4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(CCCn4nccn4)n3)n2)c1
InChIInChI=1S/C23H26N8O/c1-18-4-2-5-19(16-18)20-7-11-30(28-20)23-17-22(29-12-14-32-15-13-29)26-21(27-23)6-3-10-31-24-8-9-25-31/h2,4-5,7-9,11,16-17H,3,6,10,12-15H2,1H3
InChIKeyBKOCJBHNHUIGMV-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.70
Rot. Bonds7

About 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine

4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine (PubChem CID 156832136) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
PubChem CID156832136
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(CCCn4nccn4)n3)n2)c1
InChIInChI=1S/C23H26N8O/c1-18-4-2-5-19(16-18)20-7-11-30(28-20)23-17-22(29-12-14-32-15-13-29)26-21(27-23)6-3-10-31-24-8-9-25-31/h2,4-5,7-9,11,16-17H,3,6,10,12-15H2,1H3
InChIKeyBKOCJBHNHUIGMV-UHFFFAOYSA-N
XLogP2.70
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
CID 156832171
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
3-hydroxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile
CID 156831881
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
5-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-yl]pentane-1,2-diol
CID 156831979
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266571
4-[2-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485
4-[2-(2,5-dimethylpyrazol-3-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064352

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine (CID 156832136) is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(CCCn4nccn4)n3)n2)c1.
What is the InChIKey of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine?
The InChIKey is BKOCJBHNHUIGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-18-4-2-5-19(16-18)20-7-11-30(28-20)23-17-22(29-12-14-32-15-13-29)26-21(27-23)6-3-10-31-24-8-9-25-31/h2,4-5,7-9,11,16-17H,3,6,10,12-15H2,1H3.
What are the key properties of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine?
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine has a molecular weight of 430.52 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).