3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide

C29H23FN6O4S — CID 172616341

About 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide

3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide (PubChem CID 172616341) has the molecular formula C29H23FN6O4S and a molecular weight of 570.61 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide.

Molecular Properties

• Compound Name: 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide
• PubChem CID: 172616341
• Molecular Formula: C29H23FN6O4S
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.15
• IUPAC Name: 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide
• SMILES: Cn1ccc(CS(=O)(=O)c2ccc(C(=O)NCc3ccn4ccnc4c3)cc2-c2nc(-c3ccc(F)cc3)co2)n1
• InChI: InChI=1S/C29H23FN6O4S/c1-35-11-9-23(34-35)18-41(38,39)26-7-4-21(28(37)32-16-19-8-12-36-13-10-31-27(36)14-19)15-24(26)29-33-25(17-40-29)20-2-5-22(30)6-3-20/h2-15,17H,16,18H2,1H3,(H,32,37)
• InChIKey: BLOJXFQRPLUHFM-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 124.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide?

The IUPAC name of 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide (CID 172616341) is 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide.

What is the SMILES notation for 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide?

The canonical SMILES for 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide is Cn1ccc(CS(=O)(=O)c2ccc(C(=O)NCc3ccn4ccnc4c3)cc2-c2nc(-c3ccc(F)cc3)co2)n1.

What is the InChIKey of 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide?

The InChIKey is BLOJXFQRPLUHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O4S/c1-35-11-9-23(34-35)18-41(38,39)26-7-4-21(28(37)32-16-19-8-12-36-13-10-31-27(36)14-19)15-24(26)29-33-25(17-40-29)20-2-5-22(30)6-3-20/h2-15,17H,16,18H2,1H3,(H,32,37).

What are the key properties of 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide?

3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide has a molecular weight of 570.61 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-[(1-methylpyrazol-3-yl)methylsulfonyl]benzamide is sourced from PubChem (CID 172616341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).