2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate

C25H23N7O5S — CID 139522614

About 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate

2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate (PubChem CID 139522614) has the molecular formula C25H23N7O5S and a molecular weight of 533.57 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate.

Molecular Properties

• Compound Name: 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate
• PubChem CID: 139522614
• Molecular Formula: C25H23N7O5S
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.15
• IUPAC Name: 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate
• SMILES: COc1cnc2c(-c3nc4c(C)cc(OCCOC(=O)Nc5cnc(OC)nc5)nc4s3)cc(C)cc2n1
• InChI: InChI=1S/C25H23N7O5S/c1-13-7-16(21-17(8-13)30-19(34-3)12-26-21)22-32-20-14(2)9-18(31-23(20)38-22)36-5-6-37-25(33)29-15-10-27-24(35-4)28-11-15/h7-12H,5-6H2,1-4H3,(H,29,33)
• InChIKey: FRDPUWYDZIADOR-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 143.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate?

The IUPAC name of 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate (CID 139522614) is 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate.

What is the SMILES notation for 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate?

The canonical SMILES for 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate is COc1cnc2c(-c3nc4c(C)cc(OCCOC(=O)Nc5cnc(OC)nc5)nc4s3)cc(C)cc2n1.

What is the InChIKey of 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate?

The InChIKey is FRDPUWYDZIADOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O5S/c1-13-7-16(21-17(8-13)30-19(34-3)12-26-21)22-32-20-14(2)9-18(31-23(20)38-22)36-5-6-37-25(33)29-15-10-27-24(35-4)28-11-15/h7-12H,5-6H2,1-4H3,(H,29,33).

What are the key properties of 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate?

2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate has a molecular weight of 533.57 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate is sourced from PubChem (CID 139522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).