2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H17N7O3 — CID 121259956

About 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259956) has the molecular formula C23H17N7O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121259956
• Molecular Formula: C23H17N7O3
• Molecular Weight: 439.44 g/mol
• Exact Mass: 439.14
• IUPAC Name: 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C#Cc1coc2nc(C(C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
• InChI: InChI=1S/C23H17N7O3/c1-3-14-12-33-22-16(14)23(32)30(15-8-5-4-6-9-15)19(27-22)13(2)26-21(31)17-18(24)28-29-11-7-10-25-20(17)29/h1,4-13H,2H3,(H2,24,28)(H,26,31)
• InChIKey: BJAGJMFCDQLCSM-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 133.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.44
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259956) is 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C#Cc1coc2nc(C(C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12.

What is the InChIKey of 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BJAGJMFCDQLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O3/c1-3-14-12-33-22-16(14)23(32)30(15-8-5-4-6-9-15)19(27-22)13(2)26-21(31)17-18(24)28-29-11-7-10-25-20(17)29/h1,4-13H,2H3,(H2,24,28)(H,26,31).

What are the key properties of 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).