3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene

C20H17N5O — CID 90893582

About 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene

3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene (PubChem CID 90893582) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene.

Molecular Properties

• Compound Name: 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene
• PubChem CID: 90893582
• Molecular Formula: C20H17N5O
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.14
• IUPAC Name: 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene
• SMILES: Cc1nn(-c2ccccc2)c2nccc(/N=N/CC=Cc3ccco3)c12
• InChI: InChI=1S/C20H17N5O/c1-15-19-18(23-22-12-5-9-17-10-6-14-26-17)11-13-21-20(19)25(24-15)16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3/b9-5?,23-22+
• InChIKey: PJKKHGZFYWPQIP-HXMNSRKYSA-N
• XLogP: 5.12
• TPSA: 68.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene?

The IUPAC name of 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene (CID 90893582) is 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene.

What is the SMILES notation for 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene?

The canonical SMILES for 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene is Cc1nn(-c2ccccc2)c2nccc(/N=N/CC=Cc3ccco3)c12.

What is the InChIKey of 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene?

The InChIKey is PJKKHGZFYWPQIP-HXMNSRKYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-15-19-18(23-22-12-5-9-17-10-6-14-26-17)11-13-21-20(19)25(24-15)16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3/b9-5?,23-22+.

What are the key properties of 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene?

3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene has a molecular weight of 343.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)prop-2-enyl-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)diazene is sourced from PubChem (CID 90893582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).