(2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone

C27H32FN3O4S — CID 122574204

About (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone

(2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone (PubChem CID 122574204) has the molecular formula C27H32FN3O4S and a molecular weight of 513.64 g/mol. Its IUPAC name is (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone
• PubChem CID: 122574204
• Molecular Formula: C27H32FN3O4S
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.21
• IUPAC Name: (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone
• SMILES: CCCS(=O)(=O)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1
• InChI: InChI=1S/C27H32FN3O4S/c1-5-14-36(33,34)30-12-13-31(26(2,3)17-30)25(32)23-16-22-24(35-23)20(27(4)10-11-27)15-21(29-22)18-6-8-19(28)9-7-18/h6-9,15-16H,5,10-14,17H2,1-4H3
• InChIKey: ZGLRMRKYQINUHN-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?

The IUPAC name of (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone (CID 122574204) is (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone.

What is the SMILES notation for (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?

The canonical SMILES for (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone is CCCS(=O)(=O)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1.

What is the InChIKey of (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?

The InChIKey is ZGLRMRKYQINUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4S/c1-5-14-36(33,34)30-12-13-31(26(2,3)17-30)25(32)23-16-22-24(35-23)20(27(4)10-11-27)15-21(29-22)18-6-8-19(28)9-7-18/h6-9,15-16H,5,10-14,17H2,1-4H3.

What are the key properties of (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?

(2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone has a molecular weight of 513.64 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone is sourced from PubChem (CID 122574204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).