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

C25H25N5O3S — CID 55797428

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

N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55797428) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55797428
• Molecular Formula: C25H25N5O3S
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.17
• IUPAC Name: N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C25H25N5O3S/c1-16(2)30-23-20(15-26-30)19(14-21(28-23)22-7-4-12-34-22)24(31)27-18-6-3-5-17(13-18)25(32)29-8-10-33-11-9-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)
• InChIKey: PRMVYWMDAMTPQF-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55797428) is N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc(-c3cccs3)nc21.

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

The InChIKey is PRMVYWMDAMTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-16(2)30-23-20(15-26-30)19(14-21(28-23)22-7-4-12-34-22)24(31)27-18-6-3-5-17(13-18)25(32)29-8-10-33-11-9-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31).

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

N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(morpholine-4-carbonyl)phenyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55797428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).