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

C25H27FN4O2 — CID 53143472

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H27FN4O2/c1-2-23-28-22-12-13-29(15-18-8-4-3-5-9-18)16-20(22)25(32)30(23)17-24(31)27-14-19-10-6-7-11-21(19)26/h3-11H,2,12-17H2,1H3,(H,27,31)
InChIKeyHTVFMQTYLRPZTD-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.82
Rot. Bonds7

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

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 53143472) 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-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID53143472
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-fluorophenyl)methyl]acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H27FN4O2/c1-2-23-28-22-12-13-29(15-18-8-4-3-5-9-18)16-20(22)25(32)30(23)17-24(31)27-14-19-10-6-7-11-21(19)26/h3-11H,2,12-17H2,1H3,(H,27,31)
InChIKeyHTVFMQTYLRPZTD-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-fluorophenyl)methyl]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-fluorophenyl)methyl]acetamide (CID 53143472) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]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-fluorophenyl)methyl]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-fluorophenyl)methyl]acetamide is CCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)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-fluorophenyl)methyl]acetamide?
The InChIKey is HTVFMQTYLRPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-2-23-28-22-12-13-29(15-18-8-4-3-5-9-18)16-20(22)25(32)30(23)17-24(31)27-14-19-10-6-7-11-21(19)26/h3-11H,2,12-17H2,1H3,(H,27,31).
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-fluorophenyl)methyl]acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 2.82, 7 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-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53143472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).