2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine

C23H23ClN6O3S2 — CID 131988719

About 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine

2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 131988719) has the molecular formula C23H23ClN6O3S2 and a molecular weight of 531.06 g/mol. Its IUPAC name is 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 131988719
• Molecular Formula: C23H23ClN6O3S2
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.10
• IUPAC Name: 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
• SMILES: CS(=O)(=O)c1ccc(-c2ccc3nc(OCCC4CCN(c5cnc(Cl)cn5)CC4)sc3n2)cn1
• InChI: InChI=1S/C23H23ClN6O3S2/c1-35(31,32)21-5-2-16(12-27-21)17-3-4-18-22(28-17)34-23(29-18)33-11-8-15-6-9-30(10-7-15)20-14-25-19(24)13-26-20/h2-5,12-15H,6-11H2,1H3
• InChIKey: YUSXNRSLHRJPRH-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 111.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine (CID 131988719) is 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine is CS(=O)(=O)c1ccc(-c2ccc3nc(OCCC4CCN(c5cnc(Cl)cn5)CC4)sc3n2)cn1.

What is the InChIKey of 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is YUSXNRSLHRJPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S2/c1-35(31,32)21-5-2-16(12-27-21)17-3-4-18-22(28-17)34-23(29-18)33-11-8-15-6-9-30(10-7-15)20-14-25-19(24)13-26-20/h2-5,12-15H,6-11H2,1H3.

What are the key properties of 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine?

2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 531.06 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 131988719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).