2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide

C18H18F3N7O2 — CID 166803626

IUPAC2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2nccc(C(F)(F)F)n2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C18H18F3N7O2/c1-9(2)15-26-27(16(30)12-7-11(10-3-4-10)25-28(12)15)8-14(29)24-17-22-6-5-13(23-17)18(19,20)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23,24,29)
InChIKeySQQRNCPBFZWDMO-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.34
Rot. Bonds5

About 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide

2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 166803626) has the molecular formula C18H18F3N7O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID166803626
Molecular FormulaC18H18F3N7O2
Molecular Weight421.38 g/mol
Exact Mass421.15
IUPAC Name2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2nccc(C(F)(F)F)n2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C18H18F3N7O2/c1-9(2)15-26-27(16(30)12-7-11(10-3-4-10)25-28(12)15)8-14(29)24-17-22-6-5-13(23-17)18(19,20)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23,24,29)
InChIKeySQQRNCPBFZWDMO-UHFFFAOYSA-N
XLogP2.34
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide 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 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 166803626) is 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide is CC(C)c1nn(CC(=O)Nc2nccc(C(F)(F)F)n2)c(=O)c2cc(C3CC3)nn12.
What is the InChIKey of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is SQQRNCPBFZWDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O2/c1-9(2)15-26-27(16(30)12-7-11(10-3-4-10)25-28(12)15)8-14(29)24-17-22-6-5-13(23-17)18(19,20)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23,24,29).
What are the key properties of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 421.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 166803626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).