2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid

C₁₈H₁₉N₅O₅ — CID 171619257

About 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid

2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid (PubChem CID 171619257) has the molecular formula C₁₈H₁₉N₅O₅ and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid
• PubChem CID: 171619257
• Molecular Formula: C₁₈H₁₉N₅O₅
• Molecular Weight: 385.38 g/mol
• Exact Mass: 385.14
• IUPAC Name: 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid
• SMILES: COc1ccc(CNc2ncc(NC(=O)C(=O)O)c3cnn(C)c23)c(OC)c1
• InChI: InChI=1S/C18H19N5O5/c1-23-15-12(8-21-23)13(22-17(24)18(25)26)9-20-16(15)19-7-10-4-5-11(27-2)6-14(10)28-3/h4-6,8-9H,7H2,1-3H3,(H,19,20)(H,22,24)(H,25,26)
• InChIKey: VLLARYLMEJEPOW-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 127.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.38
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?

The IUPAC name of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid (CID 171619257) is 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid.

What is the SMILES notation for 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?

The canonical SMILES for 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid is COc1ccc(CNc2ncc(NC(=O)C(=O)O)c3cnn(C)c23)c(OC)c1.

What is the InChIKey of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?

The InChIKey is VLLARYLMEJEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-23-15-12(8-21-23)13(22-17(24)18(25)26)9-20-16(15)19-7-10-4-5-11(27-2)6-14(10)28-3/h4-6,8-9H,7H2,1-3H3,(H,19,20)(H,22,24)(H,25,26).

What are the key properties of 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid?

2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid has a molecular weight of 385.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-[(2,4-dimethoxyphenyl)methylamino]-1-methylpyrazolo[5,4-c]pyridin-4-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 171619257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171619257 — identifiers, structure, computed properties (public domain)

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