2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide

C18H18F3N7O2 — CID 166803404

IUPAC2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cc(C(F)(F)F)ncn2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C18H18F3N7O2/c1-9(2)16-26-27(17(30)12-5-11(10-3-4-10)25-28(12)16)7-15(29)24-14-6-13(18(19,20)21)22-8-23-14/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23,24,29)
InChIKeyOXVHEHVUGPUOIK-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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide

2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide (PubChem CID 166803404) 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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
PubChem CID166803404
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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cc(C(F)(F)F)ncn2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C18H18F3N7O2/c1-9(2)16-26-27(17(30)12-5-11(10-3-4-10)25-28(12)16)7-15(29)24-14-6-13(18(19,20)21)22-8-23-14/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23,24,29)
InChIKeyOXVHEHVUGPUOIK-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

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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-[6-(trifluoromethyl)pyrimidin-4-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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide (CID 166803404) is 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-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-[6-(trifluoromethyl)pyrimidin-4-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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide is CC(C)c1nn(CC(=O)Nc2cc(C(F)(F)F)ncn2)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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide?
The InChIKey is OXVHEHVUGPUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O2/c1-9(2)16-26-27(17(30)12-5-11(10-3-4-10)25-28(12)16)7-15(29)24-14-6-13(18(19,20)21)22-8-23-14/h5-6,8-10H,3-4,7H2,1-2H3,(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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide?
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 166803404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).