4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine

C26H22F2N6O2 — CID 25204266

IUPAC4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine
SMILESFc1cccc(-c2nc3cnn(Cc4cc(-c5ccc(CN6CCOCC6)cc5)no4)cc-3n2)c1F
InChIInChI=1S/C26H22F2N6O2/c27-21-3-1-2-20(25(21)28)26-30-23-13-29-34(16-24(23)31-26)15-19-12-22(32-36-19)18-6-4-17(5-7-18)14-33-8-10-35-11-9-33/h1-7,12-13,16H,8-11,14-15H2
InChIKeyAFIGUJFGNWNSOP-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.26
Rot. Bonds6

About 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine

4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine (PubChem CID 25204266) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine
PubChem CID25204266
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine
SMILESFc1cccc(-c2nc3cnn(Cc4cc(-c5ccc(CN6CCOCC6)cc5)no4)cc-3n2)c1F
InChIInChI=1S/C26H22F2N6O2/c27-21-3-1-2-20(25(21)28)26-30-23-13-29-34(16-24(23)31-26)15-19-12-22(32-36-19)18-6-4-17(5-7-18)14-33-8-10-35-11-9-33/h1-7,12-13,16H,8-11,14-15H2
InChIKeyAFIGUJFGNWNSOP-UHFFFAOYSA-N
XLogP4.26
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine (CID 25204266) is 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine is Fc1cccc(-c2nc3cnn(Cc4cc(-c5ccc(CN6CCOCC6)cc5)no4)cc-3n2)c1F.
What is the InChIKey of 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine?
The InChIKey is AFIGUJFGNWNSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c27-21-3-1-2-20(25(21)28)26-30-23-13-29-34(16-24(23)31-26)15-19-12-22(32-36-19)18-6-4-17(5-7-18)14-33-8-10-35-11-9-33/h1-7,12-13,16H,8-11,14-15H2.
What are the key properties of 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine?
4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 488.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 25204266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).