6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C24H22F4N8O4 — CID 59766649

About 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 59766649) has the molecular formula C24H22F4N8O4 and a molecular weight of 562.48 g/mol. Its IUPAC name is 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 59766649
• Molecular Formula: C24H22F4N8O4
• Molecular Weight: 562.48 g/mol
• Exact Mass: 562.17
• IUPAC Name: 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: O=C(Nc1cc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)no1)Nc1cc(C(F)(F)F)ccc1F
• InChI: InChI=1S/C24H22F4N8O4/c25-16-2-1-13(24(26,27)28)9-17(16)32-23(38)33-20-11-19(35-40-20)18-10-14(15-12-30-34-21(15)31-18)22(37)29-3-4-36-5-7-39-8-6-36/h1-2,9-12H,3-8H2,(H,29,37)(H,30,31,34)(H2,32,33,38)
• InChIKey: CWGAVZNYGDKEDX-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 150.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.48
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 59766649) is 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1cc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)no1)Nc1cc(C(F)(F)F)ccc1F.

What is the InChIKey of 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is CWGAVZNYGDKEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N8O4/c25-16-2-1-13(24(26,27)28)9-17(16)32-23(38)33-20-11-19(35-40-20)18-10-14(15-12-30-34-21(15)31-18)22(37)29-3-4-36-5-7-39-8-6-36/h1-2,9-12H,3-8H2,(H,29,37)(H,30,31,34)(H2,32,33,38).

What are the key properties of 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 562.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 59766649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).