4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C24H17N5O5 — CID 135620940

About 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135620940) has the molecular formula C24H17N5O5 and a molecular weight of 455.43 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135620940
• Molecular Formula: C24H17N5O5
• Molecular Weight: 455.43 g/mol
• Exact Mass: 455.12
• IUPAC Name: 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: O=C1CC(c2cccc([N+](=O)[O-])c2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1
• InChI: InChI=1S/C24H17N5O5/c30-21-14-20(16-7-4-8-19(13-16)29(33)34)22-23(15-5-2-1-3-6-15)26-27(24(22)25-21)17-9-11-18(12-10-17)28(31)32/h1-13,20H,14H2,(H,25,30)
• InChIKey: NODKZZJZVSHKRZ-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 133.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.43
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135620940) is 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2cccc([N+](=O)[O-])c2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1.

What is the InChIKey of 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is NODKZZJZVSHKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O5/c30-21-14-20(16-7-4-8-19(13-16)29(33)34)22-23(15-5-2-1-3-6-15)26-27(24(22)25-21)17-9-11-18(12-10-17)28(31)32/h1-13,20H,14H2,(H,25,30).

What are the key properties of 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 455.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135620940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).