2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

C23H25N5OS2 — CID 142485801

IUPAC2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
SMILESCCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N
InChIInChI=1S/C23H25N5OS2/c1-3-4-10-31(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/h5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3/t31-/m1/s1
InChIKeyDJMCJOKRUPOQNU-WJOKGBTCSA-N
MW451.62 g/mol
LogP5.13
Rot. Bonds7

About 2-[(R)-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 (PubChem CID 142485801) has the molecular formula C23H25N5OS2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
PubChem CID142485801
Molecular FormulaC23H25N5OS2
Molecular Weight451.62 g/mol
Exact Mass451.15
IUPAC Name2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
SMILESCCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N
InChIInChI=1S/C23H25N5OS2/c1-3-4-10-31(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/h5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3/t31-/m1/s1
InChIKeyDJMCJOKRUPOQNU-WJOKGBTCSA-N
XLogP5.13
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (CID 142485801) is 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is CCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.
What is the InChIKey of 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is DJMCJOKRUPOQNU-WJOKGBTCSA-N. The full InChI is InChI=1S/C23H25N5OS2/c1-3-4-10-31(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/h5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3/t31-/m1/s1.
What are the key properties of 2-[(R)-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 has a molecular weight of 451.62 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-butylsulfinyl]-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).