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

C22H18F3N7O2 — CID 157034354

IUPAC5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole
SMILESFC(F)(F)Cn1ncc2ccccc21.O=c1[nH]cc(-c2cc(C3CC3)n3nccc3n2)c(=O)[nH]1
InChIInChI=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
InChIKeyBQJCCWGLVHSJGK-UHFFFAOYSA-N
MW469.43 g/mol
LogP3.25
Rot. Bonds3

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 Name5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole
PubChem CID157034354
Molecular FormulaC22H18F3N7O2
Molecular Weight469.43 g/mol
Exact Mass469.15
IUPAC Name5-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrimidine-2,4-dione;1-(2,2,2-trifluoroethyl)indazole
SMILESFC(F)(F)Cn1ncc2ccccc21.O=c1[nH]cc(-c2cc(C3CC3)n3nccc3n2)c(=O)[nH]1
InChIInChI=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
InChIKeyBQJCCWGLVHSJGK-UHFFFAOYSA-N
XLogP3.25
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).