2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one

C₂₄H₂₃N₇O₃ — CID 145057354

About 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one (PubChem CID 145057354) has the molecular formula C₂₄H₂₃N₇O₃ and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one
• PubChem CID: 145057354
• Molecular Formula: C₂₄H₂₃N₇O₃
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.19
• IUPAC Name: 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one
• SMILES: CC#Cc1coc2nc(CC)n(-c3ccccc3)c(=O)c12.NC(=O)c1c(N)nn2c1NCC=C2
• InChI: InChI=1S/C17H14N2O2.C7H9N5O/c1-3-8-12-11-21-16-15(12)17(20)19(14(4-2)18-16)13-9-6-5-7-10-13;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h5-7,9-11H,4H2,1-2H3;1,3,10H,2H2,(H2,8,11)(H2,9,13)
• InChIKey: NQWSEVDKXFTIBS-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 146.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
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;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one?

The IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one (CID 145057354) is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one is CC#Cc1coc2nc(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;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one?

The InChIKey is NQWSEVDKXFTIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C7H9N5O/c1-3-8-12-11-21-16-15(12)17(20)19(14(4-2)18-16)13-9-6-5-7-10-13;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h5-7,9-11H,4H2,1-2H3;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;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one?

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 457.49 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 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;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 145057354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145057354 — identifiers, structure, computed properties (public domain)

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