2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

C30H25F3N8O2 — CID 176654471

About 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (PubChem CID 176654471) has the molecular formula C30H25F3N8O2 and a molecular weight of 586.58 g/mol. Its IUPAC name is 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
• PubChem CID: 176654471
• Molecular Formula: C30H25F3N8O2
• Molecular Weight: 586.58 g/mol
• Exact Mass: 586.21
• IUPAC Name: 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
• SMILES: Cn1cc(-c2cc(-c3cnccn3)c3c(-c4ccc(CC(=O)Nc5cc(C(C)(C)C(F)(F)F)on5)cc4)cnn3c2)cn1
• InChI: InChI=1S/C30H25F3N8O2/c1-29(2,30(31,32)33)25-12-26(39-43-25)38-27(42)10-18-4-6-19(7-5-18)23-14-37-41-17-20(21-13-36-40(3)16-21)11-22(28(23)41)24-15-34-8-9-35-24/h4-9,11-17H,10H2,1-3H3,(H,38,39,42)
• InChIKey: PRCNTNQLDKVOQZ-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 116.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.58
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?

The IUPAC name of 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (CID 176654471) is 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?

The canonical SMILES for 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is Cn1cc(-c2cc(-c3cnccn3)c3c(-c4ccc(CC(=O)Nc5cc(C(C)(C)C(F)(F)F)on5)cc4)cnn3c2)cn1.

What is the InChIKey of 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?

The InChIKey is PRCNTNQLDKVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N8O2/c1-29(2,30(31,32)33)25-12-26(39-43-25)38-27(42)10-18-4-6-19(7-5-18)23-14-37-41-17-20(21-13-36-40(3)16-21)11-22(28(23)41)24-15-34-8-9-35-24/h4-9,11-17H,10H2,1-3H3,(H,38,39,42).

What are the key properties of 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?

2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 586.58 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 176654471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).