2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide

C26H32N6O3Si — CID 140798341

About 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide

2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide (PubChem CID 140798341) has the molecular formula C26H32N6O3Si and a molecular weight of 504.67 g/mol. Its IUPAC name is 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide
• PubChem CID: 140798341
• Molecular Formula: C26H32N6O3Si
• Molecular Weight: 504.67 g/mol
• Exact Mass: 504.23
• IUPAC Name: 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide
• SMILES: CON(C)C(=O)c1ccnc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1
• InChI: InChI=1S/C26H32N6O3Si/c1-26(2,3)36(6,7)35-17-20-9-8-10-23(29-20)32-22-15-18(11-12-19(22)16-28-32)24-27-14-13-21(30-24)25(33)31(4)34-5/h8-16H,17H2,1-7H3
• InChIKey: HONHMPLQLQOIQN-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 95.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.67
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide?

The IUPAC name of 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide (CID 140798341) is 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide.

What is the SMILES notation for 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide?

The canonical SMILES for 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide is CON(C)C(=O)c1ccnc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1.

What is the InChIKey of 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide?

The InChIKey is HONHMPLQLQOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3Si/c1-26(2,3)36(6,7)35-17-20-9-8-10-23(29-20)32-22-15-18(11-12-19(22)16-28-32)24-27-14-13-21(30-24)25(33)31(4)34-5/h8-16H,17H2,1-7H3.

What are the key properties of 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide?

2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide has a molecular weight of 504.67 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-N-methoxy-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 140798341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).