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

C19H15ClN4O3 — CID 135406421

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

1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135406421) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135406421
• Molecular Formula: C19H15ClN4O3
• Molecular Weight: 382.81 g/mol
• Exact Mass: 382.08
• IUPAC Name: 1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccc([N+](=O)[O-])cc1)CC(=O)N2
• InChI: InChI=1S/C19H15ClN4O3/c1-11-18-16(12-2-6-15(7-3-12)24(26)27)10-17(25)21-19(18)23(22-11)14-8-4-13(20)5-9-14/h2-9,16H,10H2,1H3,(H,21,25)
• InChIKey: CFKVAYGPKLAPLI-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 90.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.81
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of 1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135406421) is 1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

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

The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccc([N+](=O)[O-])cc1)CC(=O)N2.

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

The InChIKey is CFKVAYGPKLAPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-11-18-16(12-2-6-15(7-3-12)24(26)27)10-17(25)21-19(18)23(22-11)14-8-4-13(20)5-9-14/h2-9,16H,10H2,1H3,(H,21,25).

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

1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 382.81 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135406421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).