2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide

C20H25F3N8O2 — CID 138597025

IUPAC2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide
SMILESCC(C)c1c(-c2cnn(CC(=O)NCCN(C)CC(F)(F)F)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C20H25F3N8O2/c1-13(2)16-17(27-19(28-18(16)33)30-7-4-24-12-30)14-8-26-31(9-14)10-15(32)25-5-6-29(3)11-20(21,22)23/h4,7-9,12-13H,5-6,10-11H2,1-3H3,(H,25,32)(H,27,28,33)
InChIKeyDCQVIWWUPYYWOB-UHFFFAOYSA-N
MW466.47 g/mol
LogP1.55
Rot. Bonds9

About 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide

2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide (PubChem CID 138597025) has the molecular formula C20H25F3N8O2 and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide
PubChem CID138597025
Molecular FormulaC20H25F3N8O2
Molecular Weight466.47 g/mol
Exact Mass466.21
IUPAC Name2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide
SMILESCC(C)c1c(-c2cnn(CC(=O)NCCN(C)CC(F)(F)F)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C20H25F3N8O2/c1-13(2)16-17(27-19(28-18(16)33)30-7-4-24-12-30)14-8-26-31(9-14)10-15(32)25-5-6-29(3)11-20(21,22)23/h4,7-9,12-13H,5-6,10-11H2,1-3H3,(H,25,32)(H,27,28,33)
InChIKeyDCQVIWWUPYYWOB-UHFFFAOYSA-N
XLogP1.55
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]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-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide?
The IUPAC name of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide (CID 138597025) is 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide is CC(C)c1c(-c2cnn(CC(=O)NCCN(C)CC(F)(F)F)c2)nc(-n2ccnc2)[nH]c1=O.
What is the InChIKey of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide?
The InChIKey is DCQVIWWUPYYWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N8O2/c1-13(2)16-17(27-19(28-18(16)33)30-7-4-24-12-30)14-8-26-31(9-14)10-15(32)25-5-6-29(3)11-20(21,22)23/h4,7-9,12-13H,5-6,10-11H2,1-3H3,(H,25,32)(H,27,28,33).
What are the key properties of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide?
2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide has a molecular weight of 466.47 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide is sourced from PubChem (CID 138597025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).