N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide

C23H25FN4O4S3 — CID 172631787

About N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide

N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide (PubChem CID 172631787) has the molecular formula C23H25FN4O4S3 and a molecular weight of 536.68 g/mol. Its IUPAC name is N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide
• PubChem CID: 172631787
• Molecular Formula: C23H25FN4O4S3
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.10
• IUPAC Name: N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide
• SMILES: COc1cc2ncc(-c3cc(F)c(OC)c(NS(=O)(=O)c4cc(C)ns4)c3)n2cc1SC(C)(C)C
• InChI: InChI=1S/C23H25FN4O4S3/c1-13-7-21(34-26-13)35(29,30)27-16-9-14(8-15(24)22(16)32-6)17-11-25-20-10-18(31-5)19(12-28(17)20)33-23(2,3)4/h7-12,27H,1-6H3
• InChIKey: AYOWMQRZFLIQGG-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide?

The IUPAC name of N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide (CID 172631787) is N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide.

What is the SMILES notation for N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide?

The canonical SMILES for N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide is COc1cc2ncc(-c3cc(F)c(OC)c(NS(=O)(=O)c4cc(C)ns4)c3)n2cc1SC(C)(C)C.

What is the InChIKey of N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide?

The InChIKey is AYOWMQRZFLIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S3/c1-13-7-21(34-26-13)35(29,30)27-16-9-14(8-15(24)22(16)32-6)17-11-25-20-10-18(31-5)19(12-28(17)20)33-23(2,3)4/h7-12,27H,1-6H3.

What are the key properties of N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide?

N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide has a molecular weight of 536.68 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide is sourced from PubChem (CID 172631787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).