2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide

C25H27FN4O2 — CID 53143468

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1F)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H27FN4O2/c1-3-23-27-21-11-12-29(14-18-7-5-4-6-8-18)15-19(21)25(32)30(23)16-24(31)28-22-10-9-17(2)13-20(22)26/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,28,31)
InChIKeyHHFDXWKFZPRHNI-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.45
Rot. Bonds6

About 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 53143468) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID53143468
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1F)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H27FN4O2/c1-3-23-27-21-11-12-29(14-18-7-5-4-6-8-18)15-19(21)25(32)30(23)16-24(31)28-22-10-9-17(2)13-20(22)26/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,28,31)
InChIKeyHHFDXWKFZPRHNI-UHFFFAOYSA-N
XLogP3.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)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-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide (CID 53143468) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide is CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1F)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is HHFDXWKFZPRHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-3-23-27-21-11-12-29(14-18-7-5-4-6-8-18)15-19(21)25(32)30(23)16-24(31)28-22-10-9-17(2)13-20(22)26/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,28,31).
What are the key properties of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 53143468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).