6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H15IN4O2 — CID 59016559

IUPAC6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccc(I)cc1)C2=O
InChIInChI=1S/C19H15IN4O2/c20-12-6-8-13(9-7-12)23-11-10-15-16(18(21)25)22-24(17(15)19(23)26)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,21,25)
InChIKeyMIBSNEHCJLRDKV-UHFFFAOYSA-N
MW458.26 g/mol
LogP2.78
Rot. Bonds3

About 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59016559) has the molecular formula C19H15IN4O2 and a molecular weight of 458.26 g/mol. Its IUPAC name is 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID59016559
Molecular FormulaC19H15IN4O2
Molecular Weight458.26 g/mol
Exact Mass458.02
IUPAC Name6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccc(I)cc1)C2=O
InChIInChI=1S/C19H15IN4O2/c20-12-6-8-13(9-7-12)23-11-10-15-16(18(21)25)22-24(17(15)19(23)26)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,21,25)
InChIKeyMIBSNEHCJLRDKV-UHFFFAOYSA-N
XLogP2.78
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59016559) is 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccc(I)cc1)C2=O.
What is the InChIKey of 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is MIBSNEHCJLRDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4O2/c20-12-6-8-13(9-7-12)23-11-10-15-16(18(21)25)22-24(17(15)19(23)26)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,21,25).
What are the key properties of 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 458.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59016559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).