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

C23H21ClN8O5S — CID 87227900

About 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(2-chlorophenyl)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-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 87227900) has the molecular formula C23H21ClN8O5S and a molecular weight of 556.99 g/mol. Its IUPAC name is 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(2-chlorophenyl)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-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
• PubChem CID: 87227900
• Molecular Formula: C23H21ClN8O5S
• Molecular Weight: 556.99 g/mol
• Exact Mass: 556.10
• IUPAC Name: 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(2-chlorophenyl)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)Nc4ccccc4Cl)s3)nc21
• InChI: InChI=1S/C23H21ClN8O5S/c24-14-3-1-2-4-15(14)29-22(36)30-23-26-11-17(38-23)16-9-12(21(34)35)13-10-27-32(19(13)28-16)20(18(25)33)31-5-7-37-8-6-31/h1-4,9-11,20H,5-8H2,(H2,25,33)(H,34,35)(H2,26,29,30,36)
• InChIKey: PAQHNIWZFPWVCI-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 177.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.99
LogP ≤ 5	2.87
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-[(2-chlorophenyl)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-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 87227900) is 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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)Nc4ccccc4Cl)s3)nc21.

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

The InChIKey is PAQHNIWZFPWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8O5S/c24-14-3-1-2-4-15(14)29-22(36)30-23-26-11-17(38-23)16-9-12(21(34)35)13-10-27-32(19(13)28-16)20(18(25)33)31-5-7-37-8-6-31/h1-4,9-11,20H,5-8H2,(H2,25,33)(H,34,35)(H2,26,29,30,36).

What are the key properties of 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-6-[2-[(2-chlorophenyl)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-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 556.99 g/mol, XLogP of 2.87, 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-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 87227900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).