6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C22H22N8O3 — CID 144733025

About 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 144733025) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 144733025
• Molecular Formula: C22H22N8O3
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.18
• IUPAC Name: 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: N/N=C(\NN)c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1
• InChI: InChI=1S/C22H22N8O3/c23-20(31)18-16-7-9-29(14-3-1-12(2-4-14)21(26-24)27-25)22(32)19(16)30(28-18)15-5-6-17-13(11-15)8-10-33-17/h1-6,11H,7-10,24-25H2,(H2,23,31)(H,26,27)
• InChIKey: OKIWUTWQUNMVDU-UHFFFAOYSA-N
• XLogP: 0.19
• TPSA: 166.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 144733025) is 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is N/N=C(\NN)c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1.

What is the InChIKey of 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is OKIWUTWQUNMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3/c23-20(31)18-16-7-9-29(14-3-1-12(2-4-14)21(26-24)27-25)22(32)19(16)30(28-18)15-5-6-17-13(11-15)8-10-33-17/h1-6,11H,7-10,24-25H2,(H2,23,31)(H,26,27).

What are the key properties of 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 144733025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).