2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C98H106N26O7S12 — CID 158114049

About 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 158114049) has the molecular formula C98H106N26O7S12 and a molecular weight of 2144.90 g/mol. Its IUPAC name is 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 158114049
• Molecular Formula: C98H106N26O7S12
• Molecular Weight: 2144.90 g/mol
• Exact Mass: 2142.54
• IUPAC Name: 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3ccccn3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C)n3C)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N.COCCC[S@@](=O)c1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N
• InChI: InChI=1S/2C21H23N5OS2.C20H22N6OS2.2C18H19N5O2S3/c1-4-5-10-29(27)21-19(22)18-14(17-12-24-13(2)26(17)3)11-16(25-20(18)28-21)15-8-6-7-9-23-15;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;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;2*1-23-10-20-9-13(23)11-8-12(16-21-4-6-26-16)22-17-14(11)15(19)18(27-17)28(24)7-3-5-25-2/h6-9,11-12H,4-5,10,22H2,1-3H3;6-8,10-12H,4-5,9,22H2,1-3H3;7-11H,4-6,21H2,1-3H3;2*4,6,8-10H,3,5,7,19H2,1-2H3/t;;;28-;/m...1./s1
• InChIKey: FQTZQSZSVVLQDE-UJOPMPAPSA-N
• XLogP: 20.16
• TPSA: 464.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.90
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 158114049) is 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3ccccn3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C)n3C)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N.COCCC[S@@](=O)c1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N.

What is the InChIKey of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is FQTZQSZSVVLQDE-UJOPMPAPSA-N. The full InChI is InChI=1S/2C21H23N5OS2.C20H22N6OS2.2C18H19N5O2S3/c1-4-5-10-29(27)21-19(22)18-14(17-12-24-13(2)26(17)3)11-16(25-20(18)28-21)15-8-6-7-9-23-15;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;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;2*1-23-10-20-9-13(23)11-8-12(16-21-4-6-26-16)22-17-14(11)15(19)18(27-17)28(24)7-3-5-25-2/h6-9,11-12H,4-5,10,22H2,1-3H3;6-8,10-12H,4-5,9,22H2,1-3H3;7-11H,4-6,21H2,1-3H3;2*4,6,8-10H,3,5,7,19H2,1-2H3/t;;;28-;/m...1./s1.

What are the key properties of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2144.90 g/mol, XLogP of 20.16, 32 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 158114049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).