Lazertinib

C₃₀H₃₄N₈O₃ — CID 121269225

About Lazertinib

Lazertinib (PubChem CID 121269225) has the molecular formula C₃₀H₃₄N₈O₃ and a molecular weight of 554.66 g/mol. Its IUPAC name is N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: Lazertinib
• PubChem CID: 121269225
• Molecular Formula: C₃₀H₃₄N₈O₃
• Molecular Weight: 554.66 g/mol
• Exact Mass: 554.28
• IUPAC Name: N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1
• InChI: InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
• InChIKey: RRMJMHOQSALEJJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 109.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.66
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Lazertinib?

The IUPAC name of Lazertinib (CID 121269225) is N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide.

What is the SMILES notation for Lazertinib?

The canonical SMILES for Lazertinib is C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1.

What is the InChIKey of Lazertinib?

The InChIKey is RRMJMHOQSALEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34).

What are the key properties of Lazertinib?

Lazertinib has a molecular weight of 554.66 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Lazertinib is sourced from PubChem (CID 121269225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121269225 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5832 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.