2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine

C103H112FN27O5S10 — CID 161328205

About 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 161328205) has the molecular formula C103H112FN27O5S10 and a molecular weight of 2147.88 g/mol. Its IUPAC name is 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 161328205
• Molecular Formula: C103H112FN27O5S10
• Molecular Weight: 2147.88 g/mol
• Exact Mass: 2145.65
• IUPAC Name: 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3ncccc3F)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C)n3C)c2c1N
• InChI: InChI=1S/C21H22FN5OS2.2C21H23N5OS2.2C20H22N6OS2/c1-4-5-9-30(28)21-18(23)17-13(16-11-25-12(2)27(16)3)10-15(26-20(17)29-21)19-14(22)7-6-8-24-19;2*1-4-5-9-29(27)21-19(22)18-15(17-12-24-13(2)26(17)3)10-16(25-20(18)28-21)14-7-6-8-23-11-14;2*1-4-5-6-29(27)20-18(21)17-14(16-10-24-12(2)26(16)3)7-15(25-19(17)28-20)13-8-22-11-23-9-13/h6-8,10-11H,4-5,9,23H2,1-3H3;2*6-8,10-12H,4-5,9,22H2,1-3H3;2*7-11H,4-6,21H2,1-3H3/t;4*29-/m.1010/s1
• InChIKey: VLBFDFGFVARQEM-SJOCARIRSA-N
• XLogP: 21.71
• TPSA: 459.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2147.88
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine (CID 161328205) is 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3ncccc3F)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C)n3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C)n3C)c2c1N.

What is the InChIKey of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine?

The InChIKey is VLBFDFGFVARQEM-SJOCARIRSA-N. The full InChI is InChI=1S/C21H22FN5OS2.2C21H23N5OS2.2C20H22N6OS2/c1-4-5-9-30(28)21-18(23)17-13(16-11-25-12(2)27(16)3)10-15(26-20(17)29-21)19-14(22)7-6-8-24-19;2*1-4-5-9-29(27)21-19(22)18-15(17-12-24-13(2)26(17)3)10-16(25-20(18)28-21)14-7-6-8-23-11-14;2*1-4-5-6-29(27)20-18(21)17-14(16-10-24-12(2)26(16)3)7-15(25-19(17)28-20)13-8-22-11-23-9-13/h6-8,10-11H,4-5,9,23H2,1-3H3;2*6-8,10-12H,4-5,9,22H2,1-3H3;2*7-11H,4-6,21H2,1-3H3/t;4*29-/m.1010/s1.

What are the key properties of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine?

2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2147.88 g/mol, XLogP of 21.71, 30 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 161328205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).