4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile

C32H33ClN4O6 — CID 157472622

About 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile

4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile (PubChem CID 157472622) has the molecular formula C32H33ClN4O6 and a molecular weight of 605.09 g/mol. Its IUPAC name is 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile
• PubChem CID: 157472622
• Molecular Formula: C32H33ClN4O6
• Molecular Weight: 605.09 g/mol
• Exact Mass: 604.21
• IUPAC Name: 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile
• SMILES: COCCCCC(=O)c1cnn2ccc(CC(=O)C(CCOC)n3cc(OC)c(-c4cc(Cl)ccc4C#N)cc3=O)cc12
• InChI: InChI=1S/C32H33ClN4O6/c1-41-12-5-4-6-29(38)26-19-35-37-11-9-21(14-28(26)37)15-30(39)27(10-13-42-2)36-20-31(43-3)25(17-32(36)40)24-16-23(33)8-7-22(24)18-34/h7-9,11,14,16-17,19-20,27H,4-6,10,12-13,15H2,1-3H3
• InChIKey: BVFKRIFCNMVDNZ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 124.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.09
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile?

The IUPAC name of 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile (CID 157472622) is 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile.

What is the SMILES notation for 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile?

The canonical SMILES for 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile is COCCCCC(=O)c1cnn2ccc(CC(=O)C(CCOC)n3cc(OC)c(-c4cc(Cl)ccc4C#N)cc3=O)cc12.

What is the InChIKey of 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile?

The InChIKey is BVFKRIFCNMVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O6/c1-41-12-5-4-6-29(38)26-19-35-37-11-9-21(14-28(26)37)15-30(39)27(10-13-42-2)36-20-31(43-3)25(17-32(36)40)24-16-23(33)8-7-22(24)18-34/h7-9,11,14,16-17,19-20,27H,4-6,10,12-13,15H2,1-3H3.

What are the key properties of 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile?

4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile has a molecular weight of 605.09 g/mol, XLogP of 5.09, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile is sourced from PubChem (CID 157472622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).