4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine

C25H29N7O2 — CID 156832007

IUPAC4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine
SMILESCc1ccc(C)c(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)n2)c1
InChIInChI=1S/C25H29N7O2/c1-18-4-5-19(2)21(14-18)22-6-8-32(29-22)24-15-23(31-9-12-33-13-10-31)27-25(28-24)34-11-7-20-16-26-30(3)17-20/h4-6,8,14-17H,7,9-13H2,1-3H3
InChIKeyOAIZMBAVOCYBEV-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.14
Rot. Bonds7

About 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine

4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine (PubChem CID 156832007) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine
PubChem CID156832007
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine
SMILESCc1ccc(C)c(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)n2)c1
InChIInChI=1S/C25H29N7O2/c1-18-4-5-19(2)21(14-18)22-6-8-32(29-22)24-15-23(31-9-12-33-13-10-31)27-25(28-24)34-11-7-20-16-26-30(3)17-20/h4-6,8,14-17H,7,9-13H2,1-3H3
InChIKeyOAIZMBAVOCYBEV-UHFFFAOYSA-N
XLogP3.14
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
CID 156831875
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one
CID 156831844
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
CID 156832136
2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 156832053
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
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
CID 172568646

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine (CID 156832007) is 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine is Cc1ccc(C)c(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)n2)c1.
What is the InChIKey of 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine?
The InChIKey is OAIZMBAVOCYBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-18-4-5-19(2)21(14-18)22-6-8-32(29-22)24-15-23(31-9-12-33-13-10-31)27-25(28-24)34-11-7-20-16-26-30(3)17-20/h4-6,8,14-17H,7,9-13H2,1-3H3.
What are the key properties of 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine?
4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine has a molecular weight of 459.55 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).