2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine

C19H16FN3O2S — CID 59577388

IUPAC2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESF[C@@H]1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)C1
InChIInChI=1S/C19H16FN3O2S/c20-13-5-7-23(10-13)9-12-11-24-16-8-14(3-4-15(12)16)25-19-22-18-17(26-19)2-1-6-21-18/h1-4,6,8,11,13H,5,7,9-10H2/t13-/m1/s1
InChIKeyOBNROHBRQICQGD-CYBMUJFWSA-N
MW369.42 g/mol
LogP4.77
Rot. Bonds4

About 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine

2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 59577388) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID59577388
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESF[C@@H]1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)C1
InChIInChI=1S/C19H16FN3O2S/c20-13-5-7-23(10-13)9-12-11-24-16-8-14(3-4-15(12)16)25-19-22-18-17(26-19)2-1-6-21-18/h1-4,6,8,11,13H,5,7,9-10H2/t13-/m1/s1
InChIKeyOBNROHBRQICQGD-CYBMUJFWSA-N
XLogP4.77
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (CID 59577388) is 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is F[C@@H]1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)C1.
What is the InChIKey of 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is OBNROHBRQICQGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-13-5-7-23(10-13)9-12-11-24-16-8-14(3-4-15(12)16)25-19-22-18-17(26-19)2-1-6-21-18/h1-4,6,8,11,13H,5,7,9-10H2/t13-/m1/s1.
What are the key properties of 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 369.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 59577388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).