5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C26H22ClN5O6 — CID 121246715

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 121246715) has the molecular formula C26H22ClN5O6 and a molecular weight of 535.94 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
• PubChem CID: 121246715
• Molecular Formula: C26H22ClN5O6
• Molecular Weight: 535.94 g/mol
• Exact Mass: 535.13
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
• SMILES: COCCC(C(=O)Nc1ccn2ncc(C(=O)O)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
• InChI: InChI=1S/C26H22ClN5O6/c1-37-8-6-21(25(34)30-17-5-7-32-22(10-17)20(13-29-32)26(35)36)31-14-23(38-2)19(11-24(31)33)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)(H,35,36)
• InChIKey: SOLNGYFEBLRSAN-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 147.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.94
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 121246715) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is COCCC(C(=O)Nc1ccn2ncc(C(=O)O)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.

What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The InChIKey is SOLNGYFEBLRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O6/c1-37-8-6-21(25(34)30-17-5-7-32-22(10-17)20(13-29-32)26(35)36)31-14-23(38-2)19(11-24(31)33)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)(H,35,36).

What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 535.94 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 121246715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).