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

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

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Related Compounds

6-(2-aminopyrimidin-5-yl)-2-[(R)-2-methoxyethylsulfinyl]-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-3-amine
CID 176759636
2-[[5-[3-amino-2-(2-methoxyethylsulfinyl)-4-phenylthieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]amino]ethanol
CID 167341638
6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485859
6-(2-aminopyrimidin-5-yl)-2-[(S)-3-methoxypropylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(S)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(R)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 158653266
2-(2-methoxyethylsulfinyl)-4-(1-methyl-4H-imidazol-1-ium-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 169279919
2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485864
2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine
CID 167341551
6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine
CID 157358243
2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol
CID 118059010
6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylthieno[2,3-b]pyridin-3-amine
CID 3332648
2-[[5-[3-amino-4-(4-fluorophenyl)-2-(3-methoxypropylsulfanyl)thieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]amino]ethanol
CID 147706678
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159548372

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).