N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23N5OS — CID 9464192

About N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9464192) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 9464192
• Molecular Formula: C23H23N5OS
• Molecular Weight: 417.54 g/mol
• Exact Mass: 417.16
• IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3ncc(Cc4ccccc4)s3)cc(C3CC3)nc21
• InChI: InChI=1S/C23H23N5OS/c1-14(2)28-21-19(13-25-28)18(11-20(26-21)16-8-9-16)22(29)27-23-24-12-17(30-23)10-15-6-4-3-5-7-15/h3-7,11-14,16H,8-10H2,1-2H3,(H,24,27,29)
• InChIKey: BYPSMOHPYJZKAE-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.54
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9464192) is N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ncc(Cc4ccccc4)s3)cc(C3CC3)nc21.

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

The InChIKey is BYPSMOHPYJZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-14(2)28-21-19(13-25-28)18(11-20(26-21)16-8-9-16)22(29)27-23-24-12-17(30-23)10-15-6-4-3-5-7-15/h3-7,11-14,16H,8-10H2,1-2H3,(H,24,27,29).

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

N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9464192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).