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

C24H25FN4O2 — CID 46981837

IUPAC2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H25FN4O2/c1-17-27-22-15-28(14-19-5-3-2-4-6-19)12-11-21(22)24(31)29(17)16-23(30)26-13-18-7-9-20(25)10-8-18/h2-10H,11-16H2,1H3,(H,26,30)
InChIKeyOWDJGCQXDXERSM-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.57
Rot. Bonds6

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

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 46981837) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID46981837
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H25FN4O2/c1-17-27-22-15-28(14-19-5-3-2-4-6-19)12-11-21(22)24(31)29(17)16-23(30)26-13-18-7-9-20(25)10-8-18/h2-10H,11-16H2,1H3,(H,26,30)
InChIKeyOWDJGCQXDXERSM-UHFFFAOYSA-N
XLogP2.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]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-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 46981837) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is OWDJGCQXDXERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-17-27-22-15-28(14-19-5-3-2-4-6-19)12-11-21(22)24(31)29(17)16-23(30)26-13-18-7-9-20(25)10-8-18/h2-10H,11-16H2,1H3,(H,26,30).
What are the key properties of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46981837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).