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

C26H22N6O2S — CID 55610677

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

1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55610677) has the molecular formula C26H22N6O2S and a molecular weight of 482.57 g/mol. Its IUPAC name is 1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55610677
• Molecular Formula: C26H22N6O2S
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.15
• IUPAC Name: 1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C26H22N6O2S/c1-16(2)32-24-21(15-28-32)20(14-22(31-24)23-7-4-12-35-23)26(34)30-19-6-3-5-18(13-19)29-25(33)17-8-10-27-11-9-17/h3-16H,1-2H3,(H,29,33)(H,30,34)
• InChIKey: ACLNATLWKKMWKJ-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55610677) is 1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)cc(-c3cccs3)nc21.

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

The InChIKey is ACLNATLWKKMWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2S/c1-16(2)32-24-21(15-28-32)20(14-22(31-24)23-7-4-12-35-23)26(34)30-19-6-3-5-18(13-19)29-25(33)17-8-10-27-11-9-17/h3-16H,1-2H3,(H,29,33)(H,30,34).

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

1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55610677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).