N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide

C26H32N8O3 — CID 143606616

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide (PubChem CID 143606616) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide
• PubChem CID: 143606616
• Molecular Formula: C26H32N8O3
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.26
• IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide
• SMILES: CCOC(=O)c1ccccc1.NC=O.c1cc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)nn2c1
• InChI: InChI=1S/C16H19N7.C9H10O2.CH3NO/c1-2-8-22(7-1)16-18-15(13-4-3-9-23(13)21-16)17-14-10-12(19-20-14)11-5-6-11;1-2-11-9(10)8-6-4-3-5-7-8;2-1-3/h3-4,9-11H,1-2,5-8H2,(H2,17,18,19,20,21);3-7H,2H2,1H3;1H,(H2,2,3)
• InChIKey: PLLJJWNGIOXQCP-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 143.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide?

The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide (CID 143606616) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide.

What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide?

The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide is CCOC(=O)c1ccccc1.NC=O.c1cc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)nn2c1.

What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide?

The InChIKey is PLLJJWNGIOXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7.C9H10O2.CH3NO/c1-2-8-22(7-1)16-18-15(13-4-3-9-23(13)21-16)17-14-10-12(19-20-14)11-5-6-11;1-2-11-9(10)8-6-4-3-5-7-8;2-1-3/h3-4,9-11H,1-2,5-8H2,(H2,17,18,19,20,21);3-7H,2H2,1H3;1H,(H2,2,3).

What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide?

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide has a molecular weight of 504.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide is sourced from PubChem (CID 143606616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).