7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H26F2N4O2 — CID 74441594

IUPAC7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC1CC(C(=O)N2CCC3(CCCN(Cc4cccc(F)c4F)C3=O)C2)NN1
InChIInChI=1S/C20H26F2N4O2/c1-13-10-16(24-23-13)18(27)26-9-7-20(12-26)6-3-8-25(19(20)28)11-14-4-2-5-15(21)17(14)22/h2,4-5,13,16,23-24H,3,6-12H2,1H3
InChIKeyLBHXIMUQTKRZRM-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.56
Rot. Bonds3

About 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 74441594) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID74441594
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC1CC(C(=O)N2CCC3(CCCN(Cc4cccc(F)c4F)C3=O)C2)NN1
InChIInChI=1S/C20H26F2N4O2/c1-13-10-16(24-23-13)18(27)26-9-7-20(12-26)6-3-8-25(19(20)28)11-14-4-2-5-15(21)17(14)22/h2,4-5,13,16,23-24H,3,6-12H2,1H3
InChIKeyLBHXIMUQTKRZRM-UHFFFAOYSA-N
XLogP1.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-(cyclopentanecarbonyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298738
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459714
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25454216
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42567368
(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126451477
N-[2-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 45233045
(5S)-7-[(2,3-difluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126426601
2-[(5R)-7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide
CID 126451065
(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 25372789
(5R)-2-cyclobutyl-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42526301
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170196

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 74441594) is 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CC1CC(C(=O)N2CCC3(CCCN(Cc4cccc(F)c4F)C3=O)C2)NN1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LBHXIMUQTKRZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-13-10-16(24-23-13)18(27)26-9-7-20(12-26)6-3-8-25(19(20)28)11-14-4-2-5-15(21)17(14)22/h2,4-5,13,16,23-24H,3,6-12H2,1H3.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 392.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 74441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).