N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide

C26H22N6O — CID 78324895

About N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide

N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide (PubChem CID 78324895) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide
• PubChem CID: 78324895
• Molecular Formula: C26H22N6O
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.19
• IUPAC Name: N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1
• InChI: InChI=1S/C26H22N6O/c1-18(33)29-21-12-7-10-20(16-21)25-30-26(28-17-22-11-5-6-14-27-22)24-23(13-15-32(24)31-25)19-8-3-2-4-9-19/h2-16H,17H2,1H3,(H,29,33)(H,28,30,31)
• InChIKey: ZFTUFVLXAIWJNM-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 84.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide?

The IUPAC name of N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide (CID 78324895) is N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1.

What is the InChIKey of N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide?

The InChIKey is ZFTUFVLXAIWJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-18(33)29-21-12-7-10-20(16-21)25-30-26(28-17-22-11-5-6-14-27-22)24-23(13-15-32(24)31-25)19-8-3-2-4-9-19/h2-16H,17H2,1H3,(H,29,33)(H,28,30,31).

What are the key properties of N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide?

N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 78324895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).