5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

C21H23FN6O3 — CID 146272621

IUPAC5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CCC(F)CO4)C3)cc2=O)nn1
InChIInChI=1S/C21H23FN6O3/c1-13-3-4-18(25-24-13)20-17(14(2)31-26-20)9-28-19(29)7-16(8-23-28)27-11-21(12-27)6-5-15(22)10-30-21/h3-4,7-8,15H,5-6,9-12H2,1-2H3
InChIKeyNIRFLRMBDKIEHV-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.06
Rot. Bonds4

About 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (PubChem CID 146272621) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
PubChem CID146272621
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CCC(F)CO4)C3)cc2=O)nn1
InChIInChI=1S/C21H23FN6O3/c1-13-3-4-18(25-24-13)20-17(14(2)31-26-20)9-28-19(29)7-16(8-23-28)27-11-21(12-27)6-5-15(22)10-30-21/h3-4,7-8,15H,5-6,9-12H2,1-2H3
InChIKeyNIRFLRMBDKIEHV-UHFFFAOYSA-N
XLogP2.06
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-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-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (CID 146272621) is 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-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-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-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(CCC(F)CO4)C3)cc2=O)nn1.
What is the InChIKey of 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is NIRFLRMBDKIEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-13-3-4-18(25-24-13)20-17(14(2)31-26-20)9-28-19(29)7-16(8-23-28)27-11-21(12-27)6-5-15(22)10-30-21/h3-4,7-8,15H,5-6,9-12H2,1-2H3.
What are the key properties of 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 426.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 146272621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).