N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide

C26H28N8O4S — CID 171058230

About N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 171058230) has the molecular formula C26H28N8O4S and a molecular weight of 548.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide
• PubChem CID: 171058230
• Molecular Formula: C26H28N8O4S
• Molecular Weight: 548.63 g/mol
• Exact Mass: 548.20
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide
• SMILES: COc1ccc(S(C)(=O)=O)cc1-n1nc(CC(=O)NCCN(C)C)c2cnc(-c3cnn4cccnc34)cc21
• InChI: InChI=1S/C26H28N8O4S/c1-32(2)11-9-27-25(35)14-21-18-15-29-20(19-16-30-33-10-5-8-28-26(19)33)13-22(18)34(31-21)23-12-17(39(4,36)37)6-7-24(23)38-3/h5-8,10,12-13,15-16H,9,11,14H2,1-4H3,(H,27,35)
• InChIKey: IHPCFIHYEIEHNU-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 136.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.63
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 171058230) is N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide is COc1ccc(S(C)(=O)=O)cc1-n1nc(CC(=O)NCCN(C)C)c2cnc(-c3cnn4cccnc34)cc21.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide?

The InChIKey is IHPCFIHYEIEHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O4S/c1-32(2)11-9-27-25(35)14-21-18-15-29-20(19-16-30-33-10-5-8-28-26(19)33)13-22(18)34(31-21)23-12-17(39(4,36)37)6-7-24(23)38-3/h5-8,10,12-13,15-16H,9,11,14H2,1-4H3,(H,27,35).

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide?

N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 548.63 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 171058230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).