2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H20N8O2 — CID 121259305

About 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259305) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121259305
• Molecular Formula: C24H20N8O2
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.17
• IUPAC Name: 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC#Cc1cnc2cc(C(C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)n12
• InChI: InChI=1S/C24H20N8O2/c1-3-8-17-14-27-19-13-18(31(24(34)32(17)19)16-9-5-4-6-10-16)15(2)28-23(33)20-21(25)29-30-12-7-11-26-22(20)30/h4-7,9-15H,1-2H3,(H2,25,29)(H,28,33)
• InChIKey: WLDCVYLGUQTFTF-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 124.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	1.97
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-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259305) is 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC#Cc1cnc2cc(C(C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)n12.

What is the InChIKey of 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WLDCVYLGUQTFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c1-3-8-17-14-27-19-13-18(31(24(34)32(17)19)16-9-5-4-6-10-16)15(2)28-23(33)20-21(25)29-30-12-7-11-26-22(20)30/h4-7,9-15H,1-2H3,(H2,25,29)(H,28,33).

What are the key properties of 2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 1.97, 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-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).