2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate

C₄₂H₅₁N₁₅O₃ — CID 143656329

About 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate

2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate (PubChem CID 143656329) has the molecular formula C₄₂H₅₁N₁₅O₃ and a molecular weight of 813.97 g/mol. Its IUPAC name is 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate.

Molecular Properties

• Compound Name: 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate
• PubChem CID: 143656329
• Molecular Formula: C₄₂H₅₁N₁₅O₃
• Molecular Weight: 813.97 g/mol
• Exact Mass: 813.43
• IUPAC Name: 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate
• SMILES: CCOC(=O)C(c1ccccc1)n1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C24H27N7O2.C18H24N8O/c1-2-33-24(32)22(16-7-4-3-5-8-16)30-15-18(13-27-30)19-14-28-31-21(25)11-20(29-23(19)31)17-9-6-10-26-12-17;1-24(2)17(27)11-25-10-13(8-21-25)14-9-22-26-16(19)6-15(23-18(14)26)12-4-3-5-20-7-12/h3-5,7-8,11,13-15,17,22,26H,2,6,9-10,12,25H2,1H3;6,8-10,12,20H,3-5,7,11,19H2,1-2H3
• InChIKey: CJOFGZXGYGVYEY-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 218.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.97
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?

The IUPAC name of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate (CID 143656329) is 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate.

What is the SMILES notation for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?

The canonical SMILES for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate is CCOC(=O)C(c1ccccc1)n1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.

What is the InChIKey of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?

The InChIKey is CJOFGZXGYGVYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2.C18H24N8O/c1-2-33-24(32)22(16-7-4-3-5-8-16)30-15-18(13-27-30)19-14-28-31-21(25)11-20(29-23(19)31)17-9-6-10-26-12-17;1-24(2)17(27)11-25-10-13(8-21-25)14-9-22-26-16(19)6-15(23-18(14)26)12-4-3-5-20-7-12/h3-5,7-8,11,13-15,17,22,26H,2,6,9-10,12,25H2,1H3;6,8-10,12,20H,3-5,7,11,19H2,1-2H3.

What are the key properties of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?

2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate has a molecular weight of 813.97 g/mol, XLogP of 3.52, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate is sourced from PubChem (CID 143656329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143656329 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.