(2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone

C18H20F3N5O — CID 138006627

IUPAC(2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESCc1cc(C(=O)N2CC3CCC3(Nc3ccc(C(F)(F)F)cn3)C2)n(C)n1
InChIInChI=1S/C18H20F3N5O/c1-11-7-14(25(2)24-11)16(27)26-9-13-5-6-17(13,10-26)23-15-4-3-12(8-22-15)18(19,20)21/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyFEHVGVLRQDDSAW-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.86
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone (PubChem CID 138006627) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone
PubChem CID138006627
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESCc1cc(C(=O)N2CC3CCC3(Nc3ccc(C(F)(F)F)cn3)C2)n(C)n1
InChIInChI=1S/C18H20F3N5O/c1-11-7-14(25(2)24-11)16(27)26-9-13-5-6-17(13,10-26)23-15-4-3-12(8-22-15)18(19,20)21/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyFEHVGVLRQDDSAW-UHFFFAOYSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone (CID 138006627) is (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone is Cc1cc(C(=O)N2CC3CCC3(Nc3ccc(C(F)(F)F)cn3)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The InChIKey is FEHVGVLRQDDSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-11-7-14(25(2)24-11)16(27)26-9-13-5-6-17(13,10-26)23-15-4-3-12(8-22-15)18(19,20)21/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,22,23).
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone has a molecular weight of 379.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]methanone is sourced from PubChem (CID 138006627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).