N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

C25H25N7OS — CID 19481923

About N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19481923) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
• PubChem CID: 19481923
• Molecular Formula: C25H25N7OS
• Molecular Weight: 471.59 g/mol
• Exact Mass: 471.18
• IUPAC Name: N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
• SMILES: CCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(-c5cccc(C)c5)ccnc43)n2)c(C)n1
• InChI: InChI=1S/C25H25N7OS/c1-5-31-12-20(16(3)29-31)21-14-34-25(27-21)28-22(33)13-32-24-23(17(4)30-32)19(9-10-26-24)18-8-6-7-15(2)11-18/h6-12,14H,5,13H2,1-4H3,(H,27,28,33)
• InChIKey: PAZOTUYLJRBSTL-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.59
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?

The IUPAC name of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19481923) is N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.

What is the SMILES notation for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?

The canonical SMILES for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is CCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(-c5cccc(C)c5)ccnc43)n2)c(C)n1.

What is the InChIKey of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?

The InChIKey is PAZOTUYLJRBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-5-31-12-20(16(3)29-31)21-14-34-25(27-21)28-22(33)13-32-24-23(17(4)30-32)19(9-10-26-24)18-8-6-7-15(2)11-18/h6-12,14H,5,13H2,1-4H3,(H,27,28,33).

What are the key properties of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?

N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 471.59 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19481923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).