1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H19N5OS — CID 18267760

About 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18267760) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 18267760
• Molecular Formula: C23H19N5OS
• Molecular Weight: 413.51 g/mol
• Exact Mass: 413.13
• IUPAC Name: 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3cnc4ccccc4c3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C23H19N5OS/c1-14(2)28-22-18(13-25-28)17(11-20(27-22)21-8-5-9-30-21)23(29)26-16-10-15-6-3-4-7-19(15)24-12-16/h3-14H,1-2H3,(H,26,29)
• InChIKey: LZKHNWMMKUEIKP-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.51
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 18267760) is 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3cnc4ccccc4c3)cc(-c3cccs3)nc21.

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

The InChIKey is LZKHNWMMKUEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-14(2)28-22-18(13-25-28)17(11-20(27-22)21-8-5-9-30-21)23(29)26-16-10-15-6-3-4-7-19(15)24-12-16/h3-14H,1-2H3,(H,26,29).

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

1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-N-quinolin-3-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18267760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).