Tasurgratinib

C₃₂H₃₇N₅O₆ — CID 78323434

About Tasurgratinib

Tasurgratinib (PubChem CID 78323434) has the molecular formula C₃₂H₃₇N₅O₆ and a molecular weight of 587.68 g/mol. Its IUPAC name is 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide.

Molecular Properties

• Compound Name: Tasurgratinib
• PubChem CID: 78323434
• Molecular Formula: C₃₂H₃₇N₅O₆
• Molecular Weight: 587.68 g/mol
• Exact Mass: 587.27
• IUPAC Name: 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
• SMILES: CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21
• InChI: InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)
• InChIKey: IBHOLSBDZMIPPT-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 127.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.68
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tasurgratinib?

The IUPAC name of Tasurgratinib (CID 78323434) is 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide.

What is the SMILES notation for Tasurgratinib?

The canonical SMILES for Tasurgratinib is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21.

What is the InChIKey of Tasurgratinib?

The InChIKey is IBHOLSBDZMIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39).

What are the key properties of Tasurgratinib?

Tasurgratinib has a molecular weight of 587.68 g/mol, XLogP of 4.47, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Tasurgratinib is sourced from PubChem (CID 78323434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 78323434 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5835 — approved-drug record (CC BY-SA 4.0)

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