N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide

C59H50F3N13O3S3 — CID 158473736

About N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide

N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide (PubChem CID 158473736) has the molecular formula C59H50F3N13O3S3 and a molecular weight of 1142.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide
• PubChem CID: 158473736
• Molecular Formula: C59H50F3N13O3S3
• Molecular Weight: 1142.33 g/mol
• Exact Mass: 1141.33
• IUPAC Name: N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide
• SMILES: CC(C)n1ccc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)nc(-c3cccs3)nc21.CC(C)n1nnc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C21H18FN3OS.2C19H16FN5OS/c1-13(2)25-10-9-16-17(21(26)23-15-7-5-14(22)6-8-15)12-18(24-20(16)25)19-4-3-11-27-19;1-11(2)25-18-17(23-24-25)14(10-15(22-18)16-4-3-9-27-16)19(26)21-13-7-5-12(20)6-8-13;1-11(2)25-18-14(10-21-25)16(23-17(24-18)15-4-3-9-27-15)19(26)22-13-7-5-12(20)6-8-13/h3-13H,1-2H3,(H,23,26);3-11H,1-2H3,(H,21,26);3-11H,1-2H3,(H,22,26)
• InChIKey: HGRDFKNNEFQFTA-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 192.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1142.33
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide?

The IUPAC name of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide (CID 158473736) is N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide is CC(C)n1ccc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)nc(-c3cccs3)nc21.CC(C)n1nnc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.

What is the InChIKey of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide?

The InChIKey is HGRDFKNNEFQFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS.2C19H16FN5OS/c1-13(2)25-10-9-16-17(21(26)23-15-7-5-14(22)6-8-15)12-18(24-20(16)25)19-4-3-11-27-19;1-11(2)25-18-17(23-24-25)14(10-15(22-18)16-4-3-9-27-16)19(26)21-13-7-5-12(20)6-8-13;1-11(2)25-18-14(10-21-25)16(23-17(24-18)15-4-3-9-27-15)19(26)22-13-7-5-12(20)6-8-13/h3-13H,1-2H3,(H,23,26);3-11H,1-2H3,(H,21,26);3-11H,1-2H3,(H,22,26).

What are the key properties of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide?

N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide has a molecular weight of 1142.33 g/mol, XLogP of 14.79, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 158473736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).