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

C26H29FN4O2 — CID 53031427

IUPAC2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H29FN4O2/c1-2-6-24-29-23-17-30(16-20-7-4-3-5-8-20)14-13-22(23)26(33)31(24)18-25(32)28-15-19-9-11-21(27)12-10-19/h3-5,7-12H,2,6,13-18H2,1H3,(H,28,32)
InChIKeyWXCVBKCYHFOAII-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.21
Rot. Bonds8

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

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 53031427) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID53031427
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H29FN4O2/c1-2-6-24-29-23-17-30(16-20-7-4-3-5-8-20)14-13-22(23)26(33)31(24)18-25(32)28-15-19-9-11-21(27)12-10-19/h3-5,7-12H,2,6,13-18H2,1H3,(H,28,32)
InChIKeyWXCVBKCYHFOAII-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-benzyl-4-oxo-2-propyl-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-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 53031427) is 2-(7-benzyl-4-oxo-2-propyl-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-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is CCCc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is WXCVBKCYHFOAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-2-6-24-29-23-17-30(16-20-7-4-3-5-8-20)14-13-22(23)26(33)31(24)18-25(32)28-15-19-9-11-21(27)12-10-19/h3-5,7-12H,2,6,13-18H2,1H3,(H,28,32).
What are the key properties of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53031427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).