2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

C₁₀₈H₁₁₆N₂₆O₇S₁₀ — CID 157049417

About 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 157049417) has the molecular formula C₁₀₈H₁₁₆N₂₆O₇S₁₀ and a molecular weight of 2210.96 g/mol. Its IUPAC name is 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 157049417
• Molecular Formula: C₁₀₈H₁₁₆N₂₆O₇S₁₀
• Molecular Weight: 2210.96 g/mol
• Exact Mass: 2208.67
• IUPAC Name: 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.COCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.COCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N
• InChI: InChI=1S/2C23H25N5OS2.C22H24N6OS2.2C20H21N5O2S2/c2*1-3-4-10-31(29)23-20(24)19-16(18-13-26-21(28(18)2)14-7-8-14)11-17(27-22(19)30-23)15-6-5-9-25-12-15;1-3-4-7-31(29)22-19(23)18-15(17-11-26-20(28(17)2)13-5-6-13)8-16(27-21(18)30-22)14-9-24-12-25-10-14;2*1-25-12-23-11-16(25)14-9-15(13-5-3-6-22-10-13)24-19-17(14)18(21)20(28-19)29(26)8-4-7-27-2/h2*5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3;8-13H,3-7,23H2,1-2H3;2*3,5-6,9-12H,4,7-8,21H2,1-2H3/t2*31-;;2*29-/m10.10/s1
• InChIKey: AAAGWVHYZQUHTR-VYUNFTNFSA-N
• XLogP: 21.74
• TPSA: 464.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.96
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (CID 157049417) is 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.

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

The canonical SMILES for 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3cncnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.COCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.COCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.

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

The InChIKey is AAAGWVHYZQUHTR-VYUNFTNFSA-N. The full InChI is InChI=1S/2C23H25N5OS2.C22H24N6OS2.2C20H21N5O2S2/c2*1-3-4-10-31(29)23-20(24)19-16(18-13-26-21(28(18)2)14-7-8-14)11-17(27-22(19)30-23)15-6-5-9-25-12-15;1-3-4-7-31(29)22-19(23)18-15(17-11-26-20(28(17)2)13-5-6-13)8-16(27-21(18)30-22)14-9-24-12-25-10-14;2*1-25-12-23-11-16(25)14-9-15(13-5-3-6-22-10-13)24-19-17(14)18(21)20(28-19)29(26)8-4-7-27-2/h2*5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3;8-13H,3-7,23H2,1-2H3;2*3,5-6,9-12H,4,7-8,21H2,1-2H3/t2*31-;;2*29-/m10.10/s1.

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

2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2210.96 g/mol, XLogP of 21.74, 35 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(S)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157049417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157049417 — identifiers, structure, computed properties (public domain)

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