N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C21H18FN5O2S — CID 55551539

About N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55551539) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 55551539
• Molecular Formula: C21H18FN5O2S
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.12
• IUPAC Name: N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c1
• InChI: InChI=1S/C21H18FN5O2S/c1-12-8-16(17-10-23-27(20(17)24-12)11-15-4-3-7-30-15)21(29)26-19-9-14(25-13(2)28)5-6-18(19)22/h3-10H,11H2,1-2H3,(H,25,28)(H,26,29)
• InChIKey: JLCQTNFZAVNUMV-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55551539) is N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c1.

What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is JLCQTNFZAVNUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-12-8-16(17-10-23-27(20(17)24-12)11-15-4-3-7-30-15)21(29)26-19-9-14(25-13(2)28)5-6-18(19)22/h3-10H,11H2,1-2H3,(H,25,28)(H,26,29).

What are the key properties of N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55551539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).