2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine

C23H23N3O2S2 — CID 135387935

IUPAC2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3ccc(OC)nc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C23H23N3O2S2/c1-3-4-12-30(27)23-21(24)20-17(15-8-6-5-7-9-15)13-18(26-22(20)29-23)16-10-11-19(28-2)25-14-16/h5-11,13-14H,3-4,12,24H2,1-2H3
InChIKeyHRNZLVNNXSGCKP-UHFFFAOYSA-N
MW437.59 g/mol
LogP5.52
Rot. Bonds7

About 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 135387935) has the molecular formula C23H23N3O2S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID135387935
Molecular FormulaC23H23N3O2S2
Molecular Weight437.59 g/mol
Exact Mass437.12
IUPAC Name2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3ccc(OC)nc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C23H23N3O2S2/c1-3-4-12-30(27)23-21(24)20-17(15-8-6-5-7-9-15)13-18(26-22(20)29-23)16-10-11-19(28-2)25-14-16/h5-11,13-14H,3-4,12,24H2,1-2H3
InChIKeyHRNZLVNNXSGCKP-UHFFFAOYSA-N
XLogP5.52
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine (CID 135387935) is 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3ccc(OC)nc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is HRNZLVNNXSGCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S2/c1-3-4-12-30(27)23-21(24)20-17(15-8-6-5-7-9-15)13-18(26-22(20)29-23)16-10-11-19(28-2)25-14-16/h5-11,13-14H,3-4,12,24H2,1-2H3.
What are the key properties of 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 437.59 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-6-(6-methoxy-3-pyridinyl)-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 135387935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).