1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C23H20ClFN8O5S — CID 87228024

About 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 87228024) has the molecular formula C23H20ClFN8O5S and a molecular weight of 574.98 g/mol. Its IUPAC name is 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
• PubChem CID: 87228024
• Molecular Formula: C23H20ClFN8O5S
• Molecular Weight: 574.98 g/mol
• Exact Mass: 574.09
• IUPAC Name: 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
• SMILES: NC(=O)C(N1CCOCC1)n1ncc2c(C(=O)O)cc(-c3cnc(NC(=O)Nc4ccc(F)c(Cl)c4)s3)nc21
• InChI: InChI=1S/C23H20ClFN8O5S/c24-14-7-11(1-2-15(14)25)29-22(37)31-23-27-10-17(39-23)16-8-12(21(35)36)13-9-28-33(19(13)30-16)20(18(26)34)32-3-5-38-6-4-32/h1-2,7-10,20H,3-6H2,(H2,26,34)(H,35,36)(H2,27,29,31,37)
• InChIKey: UYQFHPWGTFWJEG-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 177.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.98
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 87228024) is 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

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

The canonical SMILES for 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is NC(=O)C(N1CCOCC1)n1ncc2c(C(=O)O)cc(-c3cnc(NC(=O)Nc4ccc(F)c(Cl)c4)s3)nc21.

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

The InChIKey is UYQFHPWGTFWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN8O5S/c24-14-7-11(1-2-15(14)25)29-22(37)31-23-27-10-17(39-23)16-8-12(21(35)36)13-9-28-33(19(13)30-16)20(18(26)34)32-3-5-38-6-4-32/h1-2,7-10,20H,3-6H2,(H2,26,34)(H,35,36)(H2,27,29,31,37).

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

1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 574.98 g/mol, XLogP of 3.01, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 87228024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).