[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C21H24N4O3S — CID 23915434

About [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 23915434) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
• PubChem CID: 23915434
• Molecular Formula: C21H24N4O3S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.16
• IUPAC Name: [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
• SMILES: CC(C)Cc1ccc2c(N)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2n1
• InChI: InChI=1S/C21H24N4O3S/c1-13(2)12-14-5-6-15-17(22)18(29-19(15)23-14)21(27)25-9-7-24(8-10-25)20(26)16-4-3-11-28-16/h3-6,11,13H,7-10,12,22H2,1-2H3
• InChIKey: QJXOTGVDYOPSGB-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 92.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?

The IUPAC name of [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 23915434) is [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

What is the SMILES notation for [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?

The canonical SMILES for [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is CC(C)Cc1ccc2c(N)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2n1.

What is the InChIKey of [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?

The InChIKey is QJXOTGVDYOPSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-13(2)12-14-5-6-15-17(22)18(29-19(15)23-14)21(27)25-9-7-24(8-10-25)20(26)16-4-3-11-28-16/h3-6,11,13H,7-10,12,22H2,1-2H3.

What are the key properties of [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?

[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 412.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 23915434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).