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

C19H22FN3O4 — CID 47065891

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H22FN3O4/c20-15-3-1-14(2-4-15)13-23-17(24)6-5-16(21-23)18(25)22-9-7-19(8-10-22)26-11-12-27-19/h1-4H,5-13H2
InChIKeyQFRIDSNFFPHCNJ-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.67
Rot. Bonds3

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

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one (PubChem CID 47065891) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
PubChem CID47065891
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H22FN3O4/c20-15-3-1-14(2-4-15)13-23-17(24)6-5-16(21-23)18(25)22-9-7-19(8-10-22)26-11-12-27-19/h1-4H,5-13H2
InChIKeyQFRIDSNFFPHCNJ-UHFFFAOYSA-N
XLogP1.67
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 6624480
2-[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 20968259
4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methylphthalazin-1-one
CID 32304335
2-[(4-fluorophenyl)methyl]-6-[(2S)-2-methylmorpholine-4-carbonyl]-4,5-dihydropyridazin-3-one
CID 93989459
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-N-(2-methoxyethyl)-1-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
CID 42511573
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 42844768
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 42844841
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-[3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 42844852
2-[(4-Fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 45829472
1-[3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-YL}ethan-1-one
CID 46030372
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46030389
Ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate
CID 46488339

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one (CID 47065891) is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one is O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
The InChIKey is QFRIDSNFFPHCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c20-15-3-1-14(2-4-15)13-23-17(24)6-5-16(21-23)18(25)22-9-7-19(8-10-22)26-11-12-27-19/h1-4H,5-13H2.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one has a molecular weight of 375.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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)methyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 47065891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).