2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

C25H32F3N3O — CID 69097962

IUPAC2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC1C2CC3CC1CC(N1CCC4(CCCN(c5ncccc5C(F)(F)F)C4)C1=O)(C3)C2
InChIInChI=1S/C25H32F3N3O/c1-16-18-10-17-11-19(16)14-24(12-17,13-18)31-9-6-23(22(31)32)5-3-8-30(15-23)21-20(25(26,27)28)4-2-7-29-21/h2,4,7,16-19H,3,5-6,8-15H2,1H3
InChIKeyXURBXBICJSAGDM-UHFFFAOYSA-N
MW447.55 g/mol
LogP5.13
Rot. Bonds2

About 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 69097962) has the molecular formula C25H32F3N3O and a molecular weight of 447.55 g/mol. Its IUPAC name is 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID69097962
Molecular FormulaC25H32F3N3O
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC Name2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC1C2CC3CC1CC(N1CCC4(CCCN(c5ncccc5C(F)(F)F)C4)C1=O)(C3)C2
InChIInChI=1S/C25H32F3N3O/c1-16-18-10-17-11-19(16)14-24(12-17,13-18)31-9-6-23(22(31)32)5-3-8-30(15-23)21-20(25(26,27)28)4-2-7-29-21/h2,4,7,16-19H,3,5-6,8-15H2,1H3
InChIKeyXURBXBICJSAGDM-UHFFFAOYSA-N
XLogP5.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-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)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653413
4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 107325193
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093
4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69192086
morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155981081
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97412333
2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131653300
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (CID 69097962) is 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is CC1C2CC3CC1CC(N1CCC4(CCCN(c5ncccc5C(F)(F)F)C4)C1=O)(C3)C2.
What is the InChIKey of 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is XURBXBICJSAGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O/c1-16-18-10-17-11-19(16)14-24(12-17,13-18)31-9-6-23(22(31)32)5-3-8-30(15-23)21-20(25(26,27)28)4-2-7-29-21/h2,4,7,16-19H,3,5-6,8-15H2,1H3.
What are the key properties of 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 447.55 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 69097962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).