5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide

C23H20N8O3S — CID 78324584

IUPAC5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2nc(NCCOc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C23H20N8O3S/c24-35(32,33)18-12-17(13-26-14-18)22-29-23(28-9-11-34-20-15-25-7-8-27-20)21-19(6-10-31(21)30-22)16-4-2-1-3-5-16/h1-8,10,12-15H,9,11H2,(H2,24,32,33)(H,28,29,30)
InChIKeyVHGVYEFZYNYAIC-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.39
Rot. Bonds8

About 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide

5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide (PubChem CID 78324584) has the molecular formula C23H20N8O3S and a molecular weight of 488.53 g/mol. Its IUPAC name is 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
PubChem CID78324584
Molecular FormulaC23H20N8O3S
Molecular Weight488.53 g/mol
Exact Mass488.14
IUPAC Name5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2nc(NCCOc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C23H20N8O3S/c24-35(32,33)18-12-17(13-26-14-18)22-29-23(28-9-11-34-20-15-25-7-8-27-20)21-19(6-10-31(21)30-22)16-4-2-1-3-5-16/h1-8,10,12-15H,9,11H2,(H2,24,32,33)(H,28,29,30)
InChIKeyVHGVYEFZYNYAIC-UHFFFAOYSA-N
XLogP2.39
TPSA150.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide (CID 78324584) is 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cncc(-c2nc(NCCOc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1.
What is the InChIKey of 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
The InChIKey is VHGVYEFZYNYAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O3S/c24-35(32,33)18-12-17(13-26-14-18)22-29-23(28-9-11-34-20-15-25-7-8-27-20)21-19(6-10-31(21)30-22)16-4-2-1-3-5-16/h1-8,10,12-15H,9,11H2,(H2,24,32,33)(H,28,29,30).
What are the key properties of 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide has a molecular weight of 488.53 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-4-(2-pyrazin-2-yloxyethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 78324584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).