N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide

C24H30BrF5N4O2Si — CID 150731625

About N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide

N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide (PubChem CID 150731625) has the molecular formula C24H30BrF5N4O2Si and a molecular weight of 609.51 g/mol. Its IUPAC name is N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide
• PubChem CID: 150731625
• Molecular Formula: C24H30BrF5N4O2Si
• Molecular Weight: 609.51 g/mol
• Exact Mass: 608.12
• IUPAC Name: N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide
• SMILES: C[C@H]1CN(c2cc(F)c(Br)c(F)c2NC(=O)c2cnc(OCC[Si](C)(C)C)cc2C(F)(F)F)CCN1C
• InChI: InChI=1S/C24H30BrF5N4O2Si/c1-14-13-34(7-6-33(14)2)18-11-17(26)20(25)21(27)22(18)32-23(35)15-12-31-19(10-16(15)24(28,29)30)36-8-9-37(3,4)5/h10-12,14H,6-9,13H2,1-5H3,(H,32,35)/t14-/m0/s1
• InChIKey: JRYOESUJKBDUAW-AWEZNQCLSA-N
• XLogP: 6.25
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.51
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide?

The IUPAC name of N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide (CID 150731625) is N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide is C[C@H]1CN(c2cc(F)c(Br)c(F)c2NC(=O)c2cnc(OCC[Si](C)(C)C)cc2C(F)(F)F)CCN1C.

What is the InChIKey of N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide?

The InChIKey is JRYOESUJKBDUAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H30BrF5N4O2Si/c1-14-13-34(7-6-33(14)2)18-11-17(26)20(25)21(27)22(18)32-23(35)15-12-31-19(10-16(15)24(28,29)30)36-8-9-37(3,4)5/h10-12,14H,6-9,13H2,1-5H3,(H,32,35)/t14-/m0/s1.

What are the key properties of N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide?

N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide has a molecular weight of 609.51 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-bromo-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 150731625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).