ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H26N4O3S — CID 26136511

About ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26136511) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26136511
• Molecular Formula: C23H26N4O3S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.17
• IUPAC Name: ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(NC(C)=O)s1)CC2
• InChI: InChI=1S/C23H26N4O3S/c1-3-30-23(29)22-19-15-26(14-18-9-10-21(31-18)24-16(2)28)12-11-20(19)27(25-22)13-17-7-5-4-6-8-17/h4-10H,3,11-15H2,1-2H3,(H,24,28)
• InChIKey: KWNAMDFRMJREGB-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26136511) is ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(NC(C)=O)s1)CC2.

What is the InChIKey of ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is KWNAMDFRMJREGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-3-30-23(29)22-19-15-26(14-18-9-10-21(31-18)24-16(2)28)12-11-20(19)27(25-22)13-17-7-5-4-6-8-17/h4-10H,3,11-15H2,1-2H3,(H,24,28).

What are the key properties of ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 438.55 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26136511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).