4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine

C24H23F2N5O2 — CID 141275883

IUPAC4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine
SMILESCOC1=CN(c2cc(F)c(N3CCOCC3)cc2F)NC(c2ccnn2-c2ccccc2)=C1
InChIInChI=1S/C24H23F2N5O2/c1-32-18-13-21(22-7-8-27-31(22)17-5-3-2-4-6-17)28-30(16-18)24-15-19(25)23(14-20(24)26)29-9-11-33-12-10-29/h2-8,13-16,28H,9-12H2,1H3
InChIKeySCWOAQCKGGLVFR-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.84
Rot. Bonds5

About 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine

4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine (PubChem CID 141275883) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine
PubChem CID141275883
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine
SMILESCOC1=CN(c2cc(F)c(N3CCOCC3)cc2F)NC(c2ccnn2-c2ccccc2)=C1
InChIInChI=1S/C24H23F2N5O2/c1-32-18-13-21(22-7-8-27-31(22)17-5-3-2-4-6-17)28-30(16-18)24-15-19(25)23(14-20(24)26)29-9-11-33-12-10-29/h2-8,13-16,28H,9-12H2,1H3
InChIKeySCWOAQCKGGLVFR-UHFFFAOYSA-N
XLogP3.84
TPSA54.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine?
The IUPAC name of 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine (CID 141275883) is 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine is COC1=CN(c2cc(F)c(N3CCOCC3)cc2F)NC(c2ccnn2-c2ccccc2)=C1.
What is the InChIKey of 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine?
The InChIKey is SCWOAQCKGGLVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-32-18-13-21(22-7-8-27-31(22)17-5-3-2-4-6-17)28-30(16-18)24-15-19(25)23(14-20(24)26)29-9-11-33-12-10-29/h2-8,13-16,28H,9-12H2,1H3.
What are the key properties of 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine?
4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine has a molecular weight of 451.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine is sourced from PubChem (CID 141275883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).