1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H27N5O2S — CID 55905280

About 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55905280) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55905280
• Molecular Formula: C25H27N5O2S
• Molecular Weight: 461.59 g/mol
• Exact Mass: 461.19
• IUPAC Name: 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(CCN4CCOCC4)cc3)c12
• InChI: InChI=1S/C25H27N5O2S/c1-17-23-20(16-21(22-4-3-15-33-22)27-24(23)29(2)28-17)25(31)26-19-7-5-18(6-8-19)9-10-30-11-13-32-14-12-30/h3-8,15-16H,9-14H2,1-2H3,(H,26,31)
• InChIKey: AWOCGKKUYAMXKA-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.59
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55905280) is 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(CCN4CCOCC4)cc3)c12.

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

The InChIKey is AWOCGKKUYAMXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-17-23-20(16-21(22-4-3-15-33-22)27-24(23)29(2)28-17)25(31)26-19-7-5-18(6-8-19)9-10-30-11-13-32-14-12-30/h3-8,15-16H,9-14H2,1-2H3,(H,26,31).

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

1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55905280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).