ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C23H25N5O3S2 — CID 24603734

About ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 24603734) has the molecular formula C23H25N5O3S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
• PubChem CID: 24603734
• Molecular Formula: C23H25N5O3S2
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.14
• IUPAC Name: ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
• SMILES: CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1
• InChI: InChI=1S/C23H25N5O3S2/c1-6-31-20(29)8-15-11-32-23(25-15)27-22(30)17-9-19(16-7-13(4)33-14(16)5)26-21-18(17)10-24-28(21)12(2)3/h7,9-12H,6,8H2,1-5H3,(H,25,27,30)
• InChIKey: AORAUNCWIKBWMJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 99.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The IUPAC name of ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 24603734) is ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The canonical SMILES for ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1.

What is the InChIKey of ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The InChIKey is AORAUNCWIKBWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S2/c1-6-31-20(29)8-15-11-32-23(25-15)27-22(30)17-9-19(16-7-13(4)33-14(16)5)26-21-18(17)10-24-28(21)12(2)3/h7,9-12H,6,8H2,1-5H3,(H,25,27,30).

What are the key properties of ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 483.62 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 24603734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).