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

C23H28F3N5O2 — CID 86303996

IUPAC5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CN(c2cc(C3CCN(C4COC4)CC3)cc(-c3cnc(N)c(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C23H28F3N5O2/c1-32-18-10-31(11-18)21-8-15(14-2-4-30(5-3-14)17-12-33-13-17)7-20(29-21)16-6-19(23(24,25)26)22(27)28-9-16/h6-9,14,17-18H,2-5,10-13H2,1H3,(H2,27,28)
InChIKeyYXHFEJKPGHQXIA-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.16
Rot. Bonds5

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

5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 86303996) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID86303996
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Name5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CN(c2cc(C3CCN(C4COC4)CC3)cc(-c3cnc(N)c(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C23H28F3N5O2/c1-32-18-10-31(11-18)21-8-15(14-2-4-30(5-3-14)17-12-33-13-17)7-20(29-21)16-6-19(23(24,25)26)22(27)28-9-16/h6-9,14,17-18H,2-5,10-13H2,1H3,(H2,27,28)
InChIKeyYXHFEJKPGHQXIA-UHFFFAOYSA-N
XLogP3.16
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine (CID 86303996) is 5-[6-(3-methoxyazetidin-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-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine is COC1CN(c2cc(C3CCN(C4COC4)CC3)cc(-c3cnc(N)c(C(F)(F)F)c3)n2)C1.
What is the InChIKey of 5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YXHFEJKPGHQXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-32-18-10-31(11-18)21-8-15(14-2-4-30(5-3-14)17-12-33-13-17)7-20(29-21)16-6-19(23(24,25)26)22(27)28-9-16/h6-9,14,17-18H,2-5,10-13H2,1H3,(H2,27,28).
What are the key properties of 5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine?
5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 463.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-methoxyazetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 86303996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).