N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide

C26H24FN7O2 — CID 126504977

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide (PubChem CID 126504977) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide
• PubChem CID: 126504977
• Molecular Formula: C26H24FN7O2
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.20
• IUPAC Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide
• SMILES: CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn5ccccc45)nc3)cc2F)no1
• InChI: InChI=1S/C26H24FN7O2/c1-26(2,3)22-12-23(33-36-22)32-24(35)11-17-8-7-16(10-19(17)27)18-13-28-25(29-14-18)31-20-15-30-34-9-5-4-6-21(20)34/h4-10,12-15H,11H2,1-3H3,(H,28,29,31)(H,32,33,35)
• InChIKey: JQACKVMKZGLCCG-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 110.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide?

The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide (CID 126504977) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide.

What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide?

The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn5ccccc45)nc3)cc2F)no1.

What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide?

The InChIKey is JQACKVMKZGLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-26(2,3)22-12-23(33-36-22)32-24(35)11-17-8-7-16(10-19(17)27)18-13-28-25(29-14-18)31-20-15-30-34-9-5-4-6-21(20)34/h4-10,12-15H,11H2,1-3H3,(H,28,29,31)(H,32,33,35).

What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide?

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 485.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 126504977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).