5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

C21H22F2N6O4 — CID 146272623

IUPAC5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(C[C@@H](OC(F)F)CO4)C3)cc2=O)nn1
InChIInChI=1S/C21H22F2N6O4/c1-12-3-4-17(26-25-12)19-16(13(2)33-27-19)8-29-18(30)5-14(7-24-29)28-10-21(11-28)6-15(9-31-21)32-20(22)23/h3-5,7,15,20H,6,8-11H2,1-2H3/t15-/m1/s1
InChIKeyFYQZOVJZWVGFAV-OAHLLOKOSA-N
MW460.44 g/mol
LogP1.94
Rot. Bonds6

About 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (PubChem CID 146272623) has the molecular formula C21H22F2N6O4 and a molecular weight of 460.44 g/mol. Its IUPAC name is 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
PubChem CID146272623
Molecular FormulaC21H22F2N6O4
Molecular Weight460.44 g/mol
Exact Mass460.17
IUPAC Name5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(C[C@@H](OC(F)F)CO4)C3)cc2=O)nn1
InChIInChI=1S/C21H22F2N6O4/c1-12-3-4-17(26-25-12)19-16(13(2)33-27-19)8-29-18(30)5-14(7-24-29)28-10-21(11-28)6-15(9-31-21)32-20(22)23/h3-5,7,15,20H,6,8-11H2,1-2H3/t15-/m1/s1
InChIKeyFYQZOVJZWVGFAV-OAHLLOKOSA-N
XLogP1.94
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (CID 146272623) is 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is Cc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(C[C@@H](OC(F)F)CO4)C3)cc2=O)nn1.
What is the InChIKey of 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is FYQZOVJZWVGFAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22F2N6O4/c1-12-3-4-17(26-25-12)19-16(13(2)33-27-19)8-29-18(30)5-14(7-24-29)28-10-21(11-28)6-15(9-31-21)32-20(22)23/h3-5,7,15,20H,6,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 460.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7R)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 146272623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).