7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone

C19H20Cl2N8O — CID 123705599

About 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone

7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 123705599) has the molecular formula C19H20Cl2N8O and a molecular weight of 447.33 g/mol. Its IUPAC name is 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
• PubChem CID: 123705599
• Molecular Formula: C19H20Cl2N8O
• Molecular Weight: 447.33 g/mol
• Exact Mass: 446.11
• IUPAC Name: 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
• SMILES: Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.[N-]=[N+]=Nc1nccc2cn[nH]c12
• InChI: InChI=1S/C13H16Cl2N2O.C6H4N6/c1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-12-11-6-5-4(1-2-8-6)3-9-10-5/h2-3,8H,4-7,9H2,1H3;1-3H,(H,9,10)
• InChIKey: XJHCJVOTRGAODL-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 113.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.33
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone (CID 123705599) is 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone is Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.[N-]=[N+]=Nc1nccc2cn[nH]c12.

What is the InChIKey of 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?

The InChIKey is XJHCJVOTRGAODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.C6H4N6/c1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-12-11-6-5-4(1-2-8-6)3-9-10-5/h2-3,8H,4-7,9H2,1H3;1-3H,(H,9,10).

What are the key properties of 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?

7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 447.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-azido-1H-pyrazolo[5,4-c]pyridine;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123705599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).