4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine

C25H26N6O2 — CID 118706424

IUPAC4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine
SMILESCOc1cc(C)cc(-c2c(-c3cc(N4CCOCC4)nc(-c4cccnc4)n3)cnn2C)c1
InChIInChI=1S/C25H26N6O2/c1-17-11-19(13-20(12-17)32-3)24-21(16-27-30(24)2)22-14-23(31-7-9-33-10-8-31)29-25(28-22)18-5-4-6-26-15-18/h4-6,11-16H,7-10H2,1-3H3
InChIKeyLXLIYOZNGGATIL-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.76
Rot. Bonds5

About 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine

4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine (PubChem CID 118706424) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine
PubChem CID118706424
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine
SMILESCOc1cc(C)cc(-c2c(-c3cc(N4CCOCC4)nc(-c4cccnc4)n3)cnn2C)c1
InChIInChI=1S/C25H26N6O2/c1-17-11-19(13-20(12-17)32-3)24-21(16-27-30(24)2)22-14-23(31-7-9-33-10-8-31)29-25(28-22)18-5-4-6-26-15-18/h4-6,11-16H,7-10H2,1-3H3
InChIKeyLXLIYOZNGGATIL-UHFFFAOYSA-N
XLogP3.76
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine (CID 118706424) is 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine is COc1cc(C)cc(-c2c(-c3cc(N4CCOCC4)nc(-c4cccnc4)n3)cnn2C)c1.
What is the InChIKey of 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine?
The InChIKey is LXLIYOZNGGATIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-11-19(13-20(12-17)32-3)24-21(16-27-30(24)2)22-14-23(31-7-9-33-10-8-31)29-25(28-22)18-5-4-6-26-15-18/h4-6,11-16H,7-10H2,1-3H3.
What are the key properties of 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine?
4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine has a molecular weight of 442.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 118706424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).