2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide

C23H18F2N4O2S — CID 59334266

About 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide (PubChem CID 59334266) has the molecular formula C23H18F2N4O2S and a molecular weight of 452.49 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide
• PubChem CID: 59334266
• Molecular Formula: C23H18F2N4O2S
• Molecular Weight: 452.49 g/mol
• Exact Mass: 452.11
• IUPAC Name: 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide
• SMILES: CC(C)(O)c1sc(-c2cccnc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
• InChI: InChI=1S/C23H18F2N4O2S/c1-23(2,31)21-14(9-18(32-21)13-5-4-8-26-10-13)17-11-28-19(12-27-17)29-22(30)20-15(24)6-3-7-16(20)25/h3-12,31H,1-2H3,(H,28,29,30)
• InChIKey: UCDQUYWDEKODPB-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 88.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.49
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide (CID 59334266) is 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide is CC(C)(O)c1sc(-c2cccnc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.

What is the InChIKey of 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide?

The InChIKey is UCDQUYWDEKODPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2S/c1-23(2,31)21-14(9-18(32-21)13-5-4-8-26-10-13)17-11-28-19(12-27-17)29-22(30)20-15(24)6-3-7-16(20)25/h3-12,31H,1-2H3,(H,28,29,30).

What are the key properties of 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide?

2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 452.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 59334266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).