N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C61H54F2N12O3S3 — CID 158865872

About N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 158865872) has the molecular formula C61H54F2N12O3S3 and a molecular weight of 1137.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 158865872
• Molecular Formula: C61H54F2N12O3S3
• Molecular Weight: 1137.38 g/mol
• Exact Mass: 1136.36
• IUPAC Name: N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3ccsc3)nc21.Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1
• InChI: InChI=1S/C21H20N4OS.2C20H17FN4OS/c1-13(2)25-20-17(12-22-25)16(11-18(24-20)19-8-5-9-27-19)21(26)23-15-7-4-6-14(3)10-15;1-12(2)25-19-17(10-22-25)16(9-18(24-19)13-7-8-27-11-13)20(26)23-15-5-3-14(21)4-6-15;1-12(2)25-19-16(11-22-25)15(10-17(24-19)18-4-3-9-27-18)20(26)23-14-7-5-13(21)6-8-14/h4-13H,1-3H3,(H,23,26);2*3-12H,1-2H3,(H,23,26)
• InChIKey: JBFLUGVTZRYDQG-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 179.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.38
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 158865872) is N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3ccsc3)nc21.Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1.

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

The InChIKey is JBFLUGVTZRYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS.2C20H17FN4OS/c1-13(2)25-20-17(12-22-25)16(11-18(24-20)19-8-5-9-27-19)21(26)23-15-7-4-6-14(3)10-15;1-12(2)25-19-17(10-22-25)16(9-18(24-19)13-7-8-27-11-13)20(26)23-15-5-3-14(21)4-6-15;1-12(2)25-19-16(11-22-25)15(10-17(24-19)18-4-3-9-27-18)20(26)23-14-7-5-13(21)6-8-14/h4-13H,1-3H3,(H,23,26);2*3-12H,1-2H3,(H,23,26).

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

N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 1137.38 g/mol, XLogP of 15.57, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-(3-methylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 158865872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).