2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide

C48H36Cl2N12O4 — CID 159064937

About 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide

2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide (PubChem CID 159064937) has the molecular formula C48H36Cl2N12O4 and a molecular weight of 915.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide
• PubChem CID: 159064937
• Molecular Formula: C48H36Cl2N12O4
• Molecular Weight: 915.80 g/mol
• Exact Mass: 914.24
• IUPAC Name: 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide
• SMILES: Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1
• InChI: InChI=1S/C24H19ClN6O2.C24H17ClN6O2/c2*1-30-12-18(11-27-30)17-10-21-22(26-14-28-31(21)13-17)15-4-8-20(9-5-15)29-24(33)23(32)16-2-6-19(25)7-3-16/h2-14,23,32H,1H3,(H,29,33);2-14H,1H3,(H,29,33)
• InChIKey: JYXYQAMSPAGXRK-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 191.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	915.80
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide?

The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide (CID 159064937) is 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide?

The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide is Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.

What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide?

The InChIKey is JYXYQAMSPAGXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2.C24H17ClN6O2/c2*1-30-12-18(11-27-30)17-10-21-22(26-14-28-31(21)13-17)15-4-8-20(9-5-15)29-24(33)23(32)16-2-6-19(25)7-3-16/h2-14,23,32H,1H3,(H,29,33);2-14H,1H3,(H,29,33).

What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide?

2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide has a molecular weight of 915.80 g/mol, XLogP of 8.39, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide is sourced from PubChem (CID 159064937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).