4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine

C24H22FN3O3S2 — CID 142485887

IUPAC4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine
SMILESCOCCS(=O)c1sc2nc(-c3ccc(C4COC4)nc3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C24H22FN3O3S2/c1-30-8-9-33(29)24-22(26)21-18(14-2-5-17(25)6-3-14)10-20(28-23(21)32-24)15-4-7-19(27-11-15)16-12-31-13-16/h2-7,10-11,16H,8-9,12-13,26H2,1H3
InChIKeyVVNQSMUSQGYYCA-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.61
Rot. Bonds7

About 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine

4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine (PubChem CID 142485887) has the molecular formula C24H22FN3O3S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine
PubChem CID142485887
Molecular FormulaC24H22FN3O3S2
Molecular Weight483.59 g/mol
Exact Mass483.11
IUPAC Name4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine
SMILESCOCCS(=O)c1sc2nc(-c3ccc(C4COC4)nc3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C24H22FN3O3S2/c1-30-8-9-33(29)24-22(26)21-18(14-2-5-17(25)6-3-14)10-20(28-23(21)32-24)15-4-7-19(27-11-15)16-12-31-13-16/h2-7,10-11,16H,8-9,12-13,26H2,1H3
InChIKeyVVNQSMUSQGYYCA-UHFFFAOYSA-N
XLogP4.61
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine (CID 142485887) is 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine is COCCS(=O)c1sc2nc(-c3ccc(C4COC4)nc3)cc(-c3ccc(F)cc3)c2c1N.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine?
The InChIKey is VVNQSMUSQGYYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S2/c1-30-8-9-33(29)24-22(26)21-18(14-2-5-17(25)6-3-14)10-20(28-23(21)32-24)15-4-7-19(27-11-15)16-12-31-13-16/h2-7,10-11,16H,8-9,12-13,26H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine?
4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine has a molecular weight of 483.59 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).