5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine

C22H25F4N5O — CID 86304148

IUPAC5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H25F4N5O/c23-16-9-31(10-16)20-7-14(13-1-3-30(4-2-13)17-11-32-12-17)6-19(29-20)15-5-18(22(24,25)26)21(27)28-8-15/h5-8,13,16-17H,1-4,9-12H2,(H2,27,28)
InChIKeyRHUTZUGSRQHNCU-UHFFFAOYSA-N
MW451.47 g/mol
LogP3.48
Rot. Bonds4

About 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine

5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 86304148) has the molecular formula C22H25F4N5O and a molecular weight of 451.47 g/mol. Its IUPAC name is 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID86304148
Molecular FormulaC22H25F4N5O
Molecular Weight451.47 g/mol
Exact Mass451.20
IUPAC Name5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H25F4N5O/c23-16-9-31(10-16)20-7-14(13-1-3-30(4-2-13)17-11-32-12-17)6-19(29-20)15-5-18(22(24,25)26)21(27)28-8-15/h5-8,13,16-17H,1-4,9-12H2,(H2,27,28)
InChIKeyRHUTZUGSRQHNCU-UHFFFAOYSA-N
XLogP3.48
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine 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 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine (CID 86304148) is 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RHUTZUGSRQHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N5O/c23-16-9-31(10-16)20-7-14(13-1-3-30(4-2-13)17-11-32-12-17)6-19(29-20)15-5-18(22(24,25)26)21(27)28-8-15/h5-8,13,16-17H,1-4,9-12H2,(H2,27,28).
What are the key properties of 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 451.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-fluoroazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 86304148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).