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

C21H24FN3O2S — CID 151668144

IUPAC(1R)-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccc(F)cc4)C3)cc(NC3CCOCC3)c21
InChIInChI=1S/C21H24FN3O2S/c22-16-3-1-14(2-4-16)15-12-25(13-15)20-11-19(23-17-5-8-27-9-6-17)21-18(24-20)7-10-28(21)26/h1-4,11,15,17H,5-10,12-13H2,(H,23,24)/t28-/m1/s1
InChIKeyQXYRLINAUNYMEL-MUUNZHRXSA-N
MW401.51 g/mol
LogP3.08
Rot. Bonds4

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

(1R)-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine (PubChem CID 151668144) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is (1R)-5-[3-(4-fluorophenyl)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-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine
PubChem CID151668144
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC Name(1R)-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine
SMILESO=[S@@]1CCc2nc(N3CC(c4ccc(F)cc4)C3)cc(NC3CCOCC3)c21
InChIInChI=1S/C21H24FN3O2S/c22-16-3-1-14(2-4-16)15-12-25(13-15)20-11-19(23-17-5-8-27-9-6-17)21-18(24-20)7-10-28(21)26/h1-4,11,15,17H,5-10,12-13H2,(H,23,24)/t28-/m1/s1
InChIKeyQXYRLINAUNYMEL-MUUNZHRXSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-[3-(4-fluorophenyl)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-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine (CID 151668144) is (1R)-5-[3-(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine is O=[S@@]1CCc2nc(N3CC(c4ccc(F)cc4)C3)cc(NC3CCOCC3)c21.
What is the InChIKey of (1R)-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine?
The InChIKey is QXYRLINAUNYMEL-MUUNZHRXSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c22-16-3-1-14(2-4-16)15-12-25(13-15)20-11-19(23-17-5-8-27-9-6-17)21-18(24-20)7-10-28(21)26/h1-4,11,15,17H,5-10,12-13H2,(H,23,24)/t28-/m1/s1.
What are the key properties of (1R)-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine?
(1R)-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine has a molecular weight of 401.51 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-(oxan-4-yl)-1-oxo-2,3-dihydrothieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 151668144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).