(1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine

C21H24FN3O3S — CID 150570089

IUPAC(1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine
SMILESO=[S@@]1CCc2nc(N3CC(Oc4ccc(F)cc4)C3)cc(NC3CCOCC3)c21
InChIInChI=1S/C21H24FN3O3S/c22-14-1-3-16(4-2-14)28-17-12-25(13-17)20-11-19(23-15-5-8-27-9-6-15)21-18(24-20)7-10-29(21)26/h1-4,11,15,17H,5-10,12-13H2,(H,23,24)/t29-/m1/s1
InChIKeyILQSOODNHYLQPU-GDLZYMKVSA-N
MW417.51 g/mol
LogP2.74
Rot. Bonds5

About (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine

(1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine (PubChem CID 150570089) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name(1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine
PubChem CID150570089
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name(1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine
SMILESO=[S@@]1CCc2nc(N3CC(Oc4ccc(F)cc4)C3)cc(NC3CCOCC3)c21
InChIInChI=1S/C21H24FN3O3S/c22-14-1-3-16(4-2-14)28-17-12-25(13-17)20-11-19(23-15-5-8-27-9-6-15)21-18(24-20)7-10-29(21)26/h1-4,11,15,17H,5-10,12-13H2,(H,23,24)/t29-/m1/s1
InChIKeyILQSOODNHYLQPU-GDLZYMKVSA-N
XLogP2.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine?
The IUPAC name of (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine (CID 150570089) is (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine?
The canonical SMILES for (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine is O=[S@@]1CCc2nc(N3CC(Oc4ccc(F)cc4)C3)cc(NC3CCOCC3)c21.
What is the InChIKey of (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine?
The InChIKey is ILQSOODNHYLQPU-GDLZYMKVSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-14-1-3-16(4-2-14)28-17-12-25(13-17)20-11-19(23-15-5-8-27-9-6-15)21-18(24-20)7-10-29(21)26/h1-4,11,15,17H,5-10,12-13H2,(H,23,24)/t29-/m1/s1.
What are the key properties of (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine?
(1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine has a molecular weight of 417.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[3-(4-fluorophenoxy)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 150570089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).