N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H23N5OS2 — CID 51966662

About N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51966662) has the molecular formula C21H23N5OS2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 51966662
• Molecular Formula: C21H23N5OS2
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.13
• IUPAC Name: N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nc(C)c([C@H](C)NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1
• InChI: InChI=1S/C21H23N5OS2/c1-11(2)26-20-16(10-22-26)15(9-17(25-20)18-7-6-8-28-18)21(27)24-13(4)19-12(3)23-14(5)29-19/h6-11,13H,1-5H3,(H,24,27)/t13-/m0/s1
• InChIKey: STYPBZOJJKDCAT-ZDUSSCGKSA-N
• XLogP: 5.31
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 51966662) is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(C)c([C@H](C)NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1.

What is the InChIKey of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is STYPBZOJJKDCAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N5OS2/c1-11(2)26-20-16(10-22-26)15(9-17(25-20)18-7-6-8-28-18)21(27)24-13(4)19-12(3)23-14(5)29-19/h6-11,13H,1-5H3,(H,24,27)/t13-/m0/s1.

What are the key properties of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51966662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).