N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide

C22H20FN5O2 — CID 22617792

IUPACN-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(=O)n(C)c2nc(-c3ccc(F)cc3)ncc21)c1ccccc1
InChIInChI=1S/C22H20FN5O2/c1-3-27(17-7-5-4-6-8-17)19(29)14-28-18-13-24-20(15-9-11-16(23)12-10-15)25-21(18)26(2)22(28)30/h4-13H,3,14H2,1-2H3
InChIKeyYRJXASBDTLXBQA-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide

N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide (PubChem CID 22617792) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
PubChem CID22617792
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(=O)n(C)c2nc(-c3ccc(F)cc3)ncc21)c1ccccc1
InChIInChI=1S/C22H20FN5O2/c1-3-27(17-7-5-4-6-8-17)19(29)14-28-18-13-24-20(15-9-11-16(23)12-10-15)25-21(18)26(2)22(28)30/h4-13H,3,14H2,1-2H3
InChIKeyYRJXASBDTLXBQA-UHFFFAOYSA-N
XLogP2.99
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide
CID 15462531
7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one
CID 22617809
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474011
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide
CID 129248502
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
CID 17405547
N-(4-fluorophenyl)-2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]acetamide
CID 53116283
N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 52906227
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-methyl-N-(2-methylphenyl)acetamide
CID 53116249
N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201963
2-chloro-7-[(4-fluorophenyl)methyl]-9-methylpurin-8-one
CID 172635974
N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide (CID 22617792) is N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide is CCN(C(=O)Cn1c(=O)n(C)c2nc(-c3ccc(F)cc3)ncc21)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
The InChIKey is YRJXASBDTLXBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-3-27(17-7-5-4-6-8-17)19(29)14-28-18-13-24-20(15-9-11-16(23)12-10-15)25-21(18)26(2)22(28)30/h4-13H,3,14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide has a molecular weight of 405.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide is sourced from PubChem (CID 22617792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).