6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide

C19H18Cl3N5O — CID 26720802

About 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide

6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 26720802) has the molecular formula C19H18Cl3N5O and a molecular weight of 438.75 g/mol. Its IUPAC name is 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

• Compound Name: 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
• PubChem CID: 26720802
• Molecular Formula: C19H18Cl3N5O
• Molecular Weight: 438.75 g/mol
• Exact Mass: 437.06
• IUPAC Name: 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
• SMILES: CC(C)n1ncc2c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc(C3CC3)nc21
• InChI: InChI=1S/C19H18Cl3N5O/c1-9(2)27-18-13(8-23-27)12(7-16(24-18)10-3-4-10)19(28)26-25-17-14(21)5-11(20)6-15(17)22/h5-10,25H,3-4H2,1-2H3,(H,26,28)
• InChIKey: XZCUCVTTZJFNMW-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.75
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?

The IUPAC name of 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 26720802) is 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide.

What is the SMILES notation for 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?

The canonical SMILES for 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide is CC(C)n1ncc2c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc(C3CC3)nc21.

What is the InChIKey of 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?

The InChIKey is XZCUCVTTZJFNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N5O/c1-9(2)27-18-13(8-23-27)12(7-16(24-18)10-3-4-10)19(28)26-25-17-14(21)5-11(20)6-15(17)22/h5-10,25H,3-4H2,1-2H3,(H,26,28).

What are the key properties of 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?

6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 438.75 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-1-propan-2-yl-N'-(2,4,6-trichlorophenyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 26720802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).