(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C21H25FN4O2 — CID 97204731

IUPAC(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1=O
InChIInChI=1S/C21H25FN4O2/c1-28-14-13-25-11-2-9-21(20(25)27)10-12-26(15-21)19-8-7-18(23-24-19)16-3-5-17(22)6-4-16/h3-8H,2,9-15H2,1H3/t21-/m1/s1
InChIKeyKHZWPOAEJHALMV-OAQYLSRUSA-N
MW384.46 g/mol
LogP2.75
Rot. Bonds5

About (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97204731) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97204731
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1=O
InChIInChI=1S/C21H25FN4O2/c1-28-14-13-25-11-2-9-21(20(25)27)10-12-26(15-21)19-8-7-18(23-24-19)16-3-5-17(22)6-4-16/h3-8H,2,9-15H2,1H3/t21-/m1/s1
InChIKeyKHZWPOAEJHALMV-OAQYLSRUSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338
(5S)-7-(2-methoxyethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97197201
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861946
(5S)-2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119601
(5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97188747
6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
CID 134075055
(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118355
(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240
(5R)-2-[(2,5-difluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42377378
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97204731) is (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1=O.
What is the InChIKey of (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KHZWPOAEJHALMV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-28-14-13-25-11-2-9-21(20(25)27)10-12-26(15-21)19-8-7-18(23-24-19)16-3-5-17(22)6-4-16/h3-8H,2,9-15H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 384.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97204731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).