5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole

C₂₂H₁₈F₃N₇O₂ — CID 157034354

About 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole

5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole (PubChem CID 157034354) has the molecular formula C₂₂H₁₈F₃N₇O₂ and a molecular weight of 469.43 g/mol. Its IUPAC name is 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

• Compound Name: 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole
• PubChem CID: 157034354
• Molecular Formula: C₂₂H₁₈F₃N₇O₂
• Molecular Weight: 469.43 g/mol
• Exact Mass: 469.15
• IUPAC Name: 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole
• SMILES: FC(F)(F)Cn1ncc2ccccc21.O=c1[nH]cc(-c2cc(C3CC3)n3nccc3n2)c(=O)[nH]1
• InChI: InChI=1S/C13H11N5O2.C9H7F3N2/c19-12-8(6-14-13(20)17-12)9-5-10(7-1-2-7)18-11(16-9)3-4-15-18;10-9(11,12)6-14-8-4-2-1-3-7(8)5-13-14/h3-7H,1-2H2,(H2,14,17,19,20);1-5H,6H2
• InChIKey: BQJCCWGLVHSJGK-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 113.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.43
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole?

The IUPAC name of 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole (CID 157034354) is 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole.

What is the SMILES notation for 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole?

The canonical SMILES for 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole is FC(F)(F)Cn1ncc2ccccc21.O=c1[nH]cc(-c2cc(C3CC3)n3nccc3n2)c(=O)[nH]1.

What is the InChIKey of 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole?

The InChIKey is BQJCCWGLVHSJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C9H7F3N2/c19-12-8(6-14-13(20)17-12)9-5-10(7-1-2-7)18-11(16-9)3-4-15-18;10-9(11,12)6-14-8-4-2-1-3-7(8)5-13-14/h3-7H,1-2H2,(H2,14,17,19,20);1-5H,6H2.

What are the key properties of 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole?

5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 469.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 157034354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157034354 — identifiers, structure, computed properties (public domain)

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