2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide

C20H23FN6O2 — CID 69094045

IUPAC2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2nc(Nc3cnn(CC(=O)NC(C)C)c3)ncc2C)cc1F
InChIInChI=1S/C20H23FN6O2/c1-12(2)24-18(28)11-27-10-15(9-23-27)25-20-22-8-13(3)19(26-20)14-5-6-17(29-4)16(21)7-14/h5-10,12H,11H2,1-4H3,(H,24,28)(H,22,25,26)
InChIKeyGKRNYIYTKKCMAU-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.06
Rot. Bonds7

About 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide

2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 69094045) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID69094045
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2nc(Nc3cnn(CC(=O)NC(C)C)c3)ncc2C)cc1F
InChIInChI=1S/C20H23FN6O2/c1-12(2)24-18(28)11-27-10-15(9-23-27)25-20-22-8-13(3)19(26-20)14-5-6-17(29-4)16(21)7-14/h5-10,12H,11H2,1-4H3,(H,24,28)(H,22,25,26)
InChIKeyGKRNYIYTKKCMAU-UHFFFAOYSA-N
XLogP3.06
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide 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-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide (CID 69094045) is 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide is COc1ccc(-c2nc(Nc3cnn(CC(=O)NC(C)C)c3)ncc2C)cc1F.
What is the InChIKey of 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is GKRNYIYTKKCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-12(2)24-18(28)11-27-10-15(9-23-27)25-20-22-8-13(3)19(26-20)14-5-6-17(29-4)16(21)7-14/h5-10,12H,11H2,1-4H3,(H,24,28)(H,22,25,26).
What are the key properties of 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 398.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 69094045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).