6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one

C19H20FN3O5 — CID 8556688

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H20FN3O5/c1-26-15-12-16(24)23(14-4-2-13(20)3-5-14)21-17(15)18(25)22-8-6-19(7-9-22)27-10-11-28-19/h2-5,12H,6-11H2,1H3
InChIKeyKDOISZMZLJBDSI-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.36
Rot. Bonds3

About 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one (PubChem CID 8556688) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
PubChem CID8556688
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H20FN3O5/c1-26-15-12-16(24)23(14-4-2-13(20)3-5-14)21-17(15)18(25)22-8-6-19(7-9-22)27-10-11-28-19/h2-5,12H,6-11H2,1H3
InChIKeyKDOISZMZLJBDSI-UHFFFAOYSA-N
XLogP1.36
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one (CID 8556688) is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The InChIKey is KDOISZMZLJBDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-26-15-12-16(24)23(14-4-2-13(20)3-5-14)21-17(15)18(25)22-8-6-19(7-9-22)27-10-11-28-19/h2-5,12H,6-11H2,1H3.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one has a molecular weight of 389.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one is sourced from PubChem (CID 8556688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).