1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C26H22F4N8O5 — CID 66992433

About 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 66992433) has the molecular formula C26H22F4N8O5 and a molecular weight of 602.51 g/mol. Its IUPAC name is 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
• PubChem CID: 66992433
• Molecular Formula: C26H22F4N8O5
• Molecular Weight: 602.51 g/mol
• Exact Mass: 602.16
• IUPAC Name: 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
• SMILES: NC(=O)C(N1CCOCC1)n1ncc2c(C(=O)O)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)nc3)nc21
• InChI: InChI=1S/C26H22F4N8O5/c27-17-3-2-14(26(28,29)30)9-19(17)35-25(42)36-20-4-1-13(11-32-20)18-10-15(24(40)41)16-12-33-38(22(16)34-18)23(21(31)39)37-5-7-43-8-6-37/h1-4,9-12,23H,5-8H2,(H2,31,39)(H,40,41)(H2,32,35,36,42)
• InChIKey: KGAAMCDADBKYHJ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 177.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.51
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

The IUPAC name of 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 66992433) is 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

What is the SMILES notation for 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

The canonical SMILES for 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is NC(=O)C(N1CCOCC1)n1ncc2c(C(=O)O)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)nc3)nc21.

What is the InChIKey of 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

The InChIKey is KGAAMCDADBKYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N8O5/c27-17-3-2-14(26(28,29)30)9-19(17)35-25(42)36-20-4-1-13(11-32-20)18-10-15(24(40)41)16-12-33-38(22(16)34-18)23(21(31)39)37-5-7-43-8-6-37/h1-4,9-12,23H,5-8H2,(H2,31,39)(H,40,41)(H2,32,35,36,42).

What are the key properties of 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 602.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 66992433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).