2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

C22H21N9O2 — CID 145057620

About 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 145057620) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 145057620
• Molecular Formula: C22H21N9O2
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.18
• IUPAC Name: 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
• SMILES: C#Cc1[nH]nc2nc(CC)n(-c3ccccc3)c(=O)c12.NC(=O)c1c(N)nn2c1NCC=C2
• InChI: InChI=1S/C15H12N4O.C7H9N5O/c1-3-11-13-14(18-17-11)16-12(4-2)19(15(13)20)10-8-6-5-7-9-10;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1,5-9H,4H2,2H3,(H,17,18);1,3,10H,2H2,(H2,8,11)(H2,9,13)
• InChIKey: RDXAVESNPRKFFL-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 162.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	4
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-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 145057620) is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The canonical SMILES for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is C#Cc1[nH]nc2nc(CC)n(-c3ccccc3)c(=O)c12.NC(=O)c1c(N)nn2c1NCC=C2.

What is the InChIKey of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The InChIKey is RDXAVESNPRKFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O.C7H9N5O/c1-3-11-13-14(18-17-11)16-12(4-2)19(15(13)20)10-8-6-5-7-9-10;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1,5-9H,4H2,2H3,(H,17,18);1,3,10H,2H2,(H2,8,11)(H2,9,13).

What are the key properties of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 443.47 g/mol, XLogP of 1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 145057620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).