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

C26H23ClN6O5 — CID 121246612

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 121246612) has the molecular formula C26H23ClN6O5 and a molecular weight of 534.96 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-carboxamide.

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-carboxamide
• PubChem CID: 121246612
• Molecular Formula: C26H23ClN6O5
• Molecular Weight: 534.96 g/mol
• Exact Mass: 534.14
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
• InChI: InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36)
• InChIKey: OCRCHYZWRKVQCQ-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 153.74 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	534.96
LogP ≤ 5	3.01
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-carboxamide?

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-carboxamide (CID 121246612) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxamide.

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-carboxamide?

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-carboxamide is COCCC(C(=O)Nc1ccn2ncc(C(N)=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-carboxamide?

The InChIKey is OCRCHYZWRKVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36).

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-carboxamide?

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 534.96 g/mol, XLogP of 3.01, 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-carboxamide is sourced from PubChem (CID 121246612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).