N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide

C23H24FN5O7S2 — CID 178094096

About N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide

N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide (PubChem CID 178094096) has the molecular formula C23H24FN5O7S2 and a molecular weight of 565.61 g/mol. Its IUPAC name is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

• Compound Name: N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
• PubChem CID: 178094096
• Molecular Formula: C23H24FN5O7S2
• Molecular Weight: 565.61 g/mol
• Exact Mass: 565.11
• IUPAC Name: N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
• SMILES: COc1cc2ncc(-c3cc(F)c(OC)c(NS(=O)(=O)c4cnc(=O)[nH]c4)c3)n2cc1S(=O)(=O)C(C)(C)C
• InChI: InChI=1S/C23H24FN5O7S2/c1-23(2,3)37(31,32)19-12-29-17(11-25-20(29)8-18(19)35-4)13-6-15(24)21(36-5)16(7-13)28-38(33,34)14-9-26-22(30)27-10-14/h6-12,28H,1-5H3,(H,26,27,30)
• InChIKey: XMBIZLRQSDBCKJ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 161.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.61
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide (CID 178094096) is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide.

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

The canonical SMILES for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide is COc1cc2ncc(-c3cc(F)c(OC)c(NS(=O)(=O)c4cnc(=O)[nH]c4)c3)n2cc1S(=O)(=O)C(C)(C)C.

What is the InChIKey of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide?

The InChIKey is XMBIZLRQSDBCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O7S2/c1-23(2,3)37(31,32)19-12-29-17(11-25-20(29)8-18(19)35-4)13-6-15(24)21(36-5)16(7-13)28-38(33,34)14-9-26-22(30)27-10-14/h6-12,28H,1-5H3,(H,26,27,30).

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

N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 565.61 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 178094096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).