ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C25H32Cl2N8O5S — CID 175196435

About ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 175196435) has the molecular formula C25H32Cl2N8O5S and a molecular weight of 627.56 g/mol. Its IUPAC name is ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 175196435
• Molecular Formula: C25H32Cl2N8O5S
• Molecular Weight: 627.56 g/mol
• Exact Mass: 626.16
• IUPAC Name: ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c2c(nn1CCNC(C)c1ncn(S(=O)(=O)N(C)C)n1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(Cl)c1)C2
• InChI: InChI=1S/C25H32Cl2N8O5S/c1-6-40-25(37)22-18-13-33(24(36)17-7-8-19(26)20(27)12-17)15(2)11-21(18)30-34(22)10-9-28-16(3)23-29-14-35(31-23)41(38,39)32(4)5/h7-8,12,14-16,28H,6,9-11,13H2,1-5H3/t15-,16?/m1/s1
• InChIKey: CJSLIIQRWKOCEG-AAFJCEBUSA-N
• XLogP: 2.55
• TPSA: 144.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.56
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 175196435) is ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

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

The canonical SMILES for ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1c2c(nn1CCNC(C)c1ncn(S(=O)(=O)N(C)C)n1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(Cl)c1)C2.

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

The InChIKey is CJSLIIQRWKOCEG-AAFJCEBUSA-N. The full InChI is InChI=1S/C25H32Cl2N8O5S/c1-6-40-25(37)22-18-13-33(24(36)17-7-8-19(26)20(27)12-17)15(2)11-21(18)30-34(22)10-9-28-16(3)23-29-14-35(31-23)41(38,39)32(4)5/h7-8,12,14-16,28H,6,9-11,13H2,1-5H3/t15-,16?/m1/s1.

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

ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 627.56 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-5-(3,4-dichlorobenzoyl)-2-[2-[1-[1-(dimethylsulfamoyl)-1,2,4-triazol-3-yl]ethylamino]ethyl]-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 175196435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).