7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

C18H20F3N3O2 — CID 166945794

IUPAC7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)CC2(C=C(N)C1=O)CCN(C(=O)c1ncc(C(F)F)cc1F)C2
InChIInChI=1S/C18H20F3N3O2/c1-17(2)8-18(6-12(22)14(17)25)3-4-24(9-18)16(26)13-11(19)5-10(7-23-13)15(20)21/h5-7,15H,3-4,8-9,22H2,1-2H3
InChIKeySZSSAIDJNKATNH-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.83
Rot. Bonds2

About 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (PubChem CID 166945794) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
PubChem CID166945794
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)CC2(C=C(N)C1=O)CCN(C(=O)c1ncc(C(F)F)cc1F)C2
InChIInChI=1S/C18H20F3N3O2/c1-17(2)8-18(6-12(22)14(17)25)3-4-24(9-18)16(26)13-11(19)5-10(7-23-13)15(20)21/h5-7,15H,3-4,8-9,22H2,1-2H3
InChIKeySZSSAIDJNKATNH-UHFFFAOYSA-N
XLogP2.83
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-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

(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442117
(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442428
(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945759
6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945776
(5S)-7-amino-2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945918
(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945738
(5R)-7-amino-2-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162441670
6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945780
(5R)-2-[6-(difluoromethyl)pyridine-3-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024011
6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945829
(5S)-2-(3-cyano-4-fluorobenzoyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024197
(5R)-2-[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024025

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (CID 166945794) is 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is CC1(C)CC2(C=C(N)C1=O)CCN(C(=O)c1ncc(C(F)F)cc1F)C2.
What is the InChIKey of 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The InChIKey is SZSSAIDJNKATNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-17(2)8-18(6-12(22)14(17)25)3-4-24(9-18)16(26)13-11(19)5-10(7-23-13)15(20)21/h5-7,15H,3-4,8-9,22H2,1-2H3.
What are the key properties of 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one has a molecular weight of 367.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 166945794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).