2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine

C34H32N6O3S4 — CID 129280135

About 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 129280135) has the molecular formula C34H32N6O3S4 and a molecular weight of 700.94 g/mol. Its IUPAC name is 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 129280135
• Molecular Formula: C34H32N6O3S4
• Molecular Weight: 700.94 g/mol
• Exact Mass: 700.14
• IUPAC Name: 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1nc2nc(-c3cc(-c4cnc(-c5cc(-c6ccccc6)c6c(N)c(S(=O)CCCC)sc6n5)o4)cs3)ccc2[nH]1
• InChI: InChI=1S/C34H32N6O3S4/c1-3-5-14-46(41)33-29(35)28-22(20-10-8-7-9-11-20)17-25(38-32(28)45-33)31-36-18-26(43-31)21-16-27(44-19-21)23-12-13-24-30(37-23)40-34(39-24)47(42)15-6-4-2/h7-13,16-19H,3-6,14-15,35H2,1-2H3,(H,37,39,40)
• InChIKey: JWYPKNKGLQLOFU-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 140.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.94
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine (CID 129280135) is 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1nc2nc(-c3cc(-c4cnc(-c5cc(-c6ccccc6)c6c(N)c(S(=O)CCCC)sc6n5)o4)cs3)ccc2[nH]1.

What is the InChIKey of 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?

The InChIKey is JWYPKNKGLQLOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O3S4/c1-3-5-14-46(41)33-29(35)28-22(20-10-8-7-9-11-20)17-25(38-32(28)45-33)31-36-18-26(43-31)21-16-27(44-19-21)23-12-13-24-30(37-23)40-34(39-24)47(42)15-6-4-2/h7-13,16-19H,3-6,14-15,35H2,1-2H3,(H,37,39,40).

What are the key properties of 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?

2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 700.94 g/mol, XLogP of 8.68, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 129280135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).