5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C19H16ClF3IN6O2P — CID 142546542

About 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142546542) has the molecular formula C19H16ClF3IN6O2P and a molecular weight of 610.70 g/mol. Its IUPAC name is 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 142546542
• Molecular Formula: C19H16ClF3IN6O2P
• Molecular Weight: 610.70 g/mol
• Exact Mass: 609.98
• IUPAC Name: 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: NC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2c1CN(c1cnn(PI)c(=O)c1Cl)CC2
• InChI: InChI=1S/C19H16ClF3IN6O2P/c20-15-14(7-26-30(33-24)18(15)32)28-6-5-13-11(9-28)16(17(25)31)27-29(13)8-10-3-1-2-4-12(10)19(21,22)23/h1-4,7,33H,5-6,8-9H2,(H2,25,31)
• InChIKey: WHDVQAOCLSGDKO-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 99.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.70
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 142546542) is 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is NC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2c1CN(c1cnn(PI)c(=O)c1Cl)CC2.

What is the InChIKey of 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is WHDVQAOCLSGDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3IN6O2P/c20-15-14(7-26-30(33-24)18(15)32)28-6-5-13-11(9-28)16(17(25)31)27-29(13)8-10-3-1-2-4-12(10)19(21,22)23/h1-4,7,33H,5-6,8-9H2,(H2,25,31).

What are the key properties of 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 610.70 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-1-iodophosphanyl-6-oxopyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142546542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).