3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one

C17H25N3O4 — CID 156603567

IUPAC3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one
SMILESCOC1(C)CC(O)C12CCN(C(=O)CCc1ccc(=O)[nH]n1)CC2
InChIInChI=1S/C17H25N3O4/c1-16(24-2)11-13(21)17(16)7-9-20(10-8-17)15(23)6-4-12-3-5-14(22)19-18-12/h3,5,13,21H,4,6-11H2,1-2H3,(H,19,22)
InChIKeyGFXUWBWQGIWBMA-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.48
Rot. Bonds4

About 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one

3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one (PubChem CID 156603567) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one
PubChem CID156603567
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one
SMILESCOC1(C)CC(O)C12CCN(C(=O)CCc1ccc(=O)[nH]n1)CC2
InChIInChI=1S/C17H25N3O4/c1-16(24-2)11-13(21)17(16)7-9-20(10-8-17)15(23)6-4-12-3-5-14(22)19-18-12/h3,5,13,21H,4,6-11H2,1-2H3,(H,19,22)
InChIKeyGFXUWBWQGIWBMA-UHFFFAOYSA-N
XLogP0.48
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72934246
3-[3-oxo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-1H-pyridazin-6-one
CID 162626688
3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 70708975
1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one
CID 72859044
3-[3-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 155498935
(5S)-9-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95725555
3-[3-[(3S,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]-1H-pyridazin-6-one;hydrochloride
CID 171709389
3-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 70770751
(6S)-1-methyl-4-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97133610
3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 170503868
3-[3-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 95561244
3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 72853652

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one (CID 156603567) is 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one is COC1(C)CC(O)C12CCN(C(=O)CCc1ccc(=O)[nH]n1)CC2.
What is the InChIKey of 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one?
The InChIKey is GFXUWBWQGIWBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-16(24-2)11-13(21)17(16)7-9-20(10-8-17)15(23)6-4-12-3-5-14(22)19-18-12/h3,5,13,21H,4,6-11H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one?
3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one has a molecular weight of 335.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one is sourced from PubChem (CID 156603567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).