2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

C26H23Cl2N5O3 — CID 25113874

About 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 25113874) has the molecular formula C26H23Cl2N5O3 and a molecular weight of 524.41 g/mol. Its IUPAC name is 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 25113874
• Molecular Formula: C26H23Cl2N5O3
• Molecular Weight: 524.41 g/mol
• Exact Mass: 523.12
• IUPAC Name: 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)cc12
• InChI: InChI=1S/C26H23Cl2N5O3/c1-30(2)26(36)24(34)18-14-31(3)23-11-20(28)17(10-16(18)23)25(35)32-9-8-21-15(13-32)12-29-33(21)22-7-5-4-6-19(22)27/h4-7,10-12,14H,8-9,13H2,1-3H3
• InChIKey: GGLVPRNAEJAPJX-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 80.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.41
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 25113874) is 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)cc12.

What is the InChIKey of 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is GGLVPRNAEJAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O3/c1-30(2)26(36)24(34)18-14-31(3)23-11-20(28)17(10-16(18)23)25(35)32-9-8-21-15(13-32)12-29-33(21)22-7-5-4-6-19(22)27/h4-7,10-12,14H,8-9,13H2,1-3H3.

What are the key properties of 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 524.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 25113874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).