1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

C17H17F3N4O2 — CID 177167965

IUPAC1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CC4(CCC4)C3)n2)C1=O
InChIInChI=1S/C17H17F3N4O2/c1-10-7-13(25)24(15(10)26)22-12-4-3-11(17(18,19)20)14(21-12)23-8-16(9-23)5-2-6-16/h3-4,7H,2,5-6,8-9H2,1H3,(H,21,22)
InChIKeyCIIJDJCNTVYNCE-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.73
Rot. Bonds3

About 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (PubChem CID 177167965) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
PubChem CID177167965
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CC4(CCC4)C3)n2)C1=O
InChIInChI=1S/C17H17F3N4O2/c1-10-7-13(25)24(15(10)26)22-12-4-3-11(17(18,19)20)14(21-12)23-8-16(9-23)5-2-6-16/h3-4,7H,2,5-6,8-9H2,1H3,(H,21,22)
InChIKeyCIIJDJCNTVYNCE-UHFFFAOYSA-N
XLogP2.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione 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

3-Methyl-1-[[6-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167959
3-Methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167968
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one
CID 177167991
1-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168013
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168027
1-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168054
1-[[6-(3,3-Difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168064
1-[[6-(3-Azabicyclo[3.1.1]heptan-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168126
3-Methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168127
1-[[6-(3,3-Difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168134
3-Methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168140
1-[[6-(Dimethylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168147

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (CID 177167965) is 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CC4(CCC4)C3)n2)C1=O.
What is the InChIKey of 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The InChIKey is CIIJDJCNTVYNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-10-7-13(25)24(15(10)26)22-12-4-3-11(17(18,19)20)14(21-12)23-8-16(9-23)5-2-6-16/h3-4,7H,2,5-6,8-9H2,1H3,(H,21,22).
What are the key properties of 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione has a molecular weight of 366.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177167965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).