2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide

C21H20ClN7O — CID 118698075

About 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide

2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide (PubChem CID 118698075) has the molecular formula C21H20ClN7O and a molecular weight of 421.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide
• PubChem CID: 118698075
• Molecular Formula: C21H20ClN7O
• Molecular Weight: 421.89 g/mol
• Exact Mass: 421.14
• IUPAC Name: 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide
• SMILES: Cn1cc(-c2cc3c(N4CC(NC(=O)Cc5ccc(Cl)cc5)C4)ncnn3c2)cn1
• InChI: InChI=1S/C21H20ClN7O/c1-27-9-16(8-24-27)15-7-19-21(23-13-25-29(19)10-15)28-11-18(12-28)26-20(30)6-14-2-4-17(22)5-3-14/h2-5,7-10,13,18H,6,11-12H2,1H3,(H,26,30)
• InChIKey: LGFMFFBDIOHQNX-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 80.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.89
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide (CID 118698075) is 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide is Cn1cc(-c2cc3c(N4CC(NC(=O)Cc5ccc(Cl)cc5)C4)ncnn3c2)cn1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide?

The InChIKey is LGFMFFBDIOHQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O/c1-27-9-16(8-24-27)15-7-19-21(23-13-25-29(19)10-15)28-11-18(12-28)26-20(30)6-14-2-4-17(22)5-3-14/h2-5,7-10,13,18H,6,11-12H2,1H3,(H,26,30).

What are the key properties of 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide?

2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide has a molecular weight of 421.89 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide is sourced from PubChem (CID 118698075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).