5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

C22H24FN5O3 — CID 146272765

IUPAC5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CC(F)CCO4)C3)cc2=O)cn1
InChIInChI=1S/C22H24FN5O3/c1-14-3-4-16(9-24-14)21-19(15(2)31-26-21)11-28-20(29)7-18(10-25-28)27-12-22(13-27)8-17(23)5-6-30-22/h3-4,7,9-10,17H,5-6,8,11-13H2,1-2H3
InChIKeyZJEMXYIXFHOFHN-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.67
Rot. Bonds4

About 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (PubChem CID 146272765) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
PubChem CID146272765
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CC(F)CCO4)C3)cc2=O)cn1
InChIInChI=1S/C22H24FN5O3/c1-14-3-4-16(9-24-14)21-19(15(2)31-26-21)11-28-20(29)7-18(10-25-28)27-12-22(13-27)8-17(23)5-6-30-22/h3-4,7,9-10,17H,5-6,8,11-13H2,1-2H3
InChIKeyZJEMXYIXFHOFHN-UHFFFAOYSA-N
XLogP2.67
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-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-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (CID 146272765) is 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is Cc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CC(F)CCO4)C3)cc2=O)cn1.
What is the InChIKey of 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is ZJEMXYIXFHOFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14-3-4-16(9-24-14)21-19(15(2)31-26-21)11-28-20(29)7-18(10-25-28)27-12-22(13-27)8-17(23)5-6-30-22/h3-4,7,9-10,17H,5-6,8,11-13H2,1-2H3.
What are the key properties of 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 425.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 146272765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).