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

C26H29FN4O2 — CID 53143482

IUPAC2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H29FN4O2/c1-18(2)25-29-23-12-13-30(15-20-6-4-3-5-7-20)16-22(23)26(33)31(25)17-24(32)28-14-19-8-10-21(27)11-9-19/h3-11,18H,12-17H2,1-2H3,(H,28,32)
InChIKeyRPALVQCECYWIIQ-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.38
Rot. Bonds7

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

2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 53143482) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID53143482
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H29FN4O2/c1-18(2)25-29-23-12-13-30(15-20-6-4-3-5-7-20)16-22(23)26(33)31(25)17-24(32)28-14-19-8-10-21(27)11-9-19/h3-11,18H,12-17H2,1-2H3,(H,28,32)
InChIKeyRPALVQCECYWIIQ-UHFFFAOYSA-N
XLogP3.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 53143482) is 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is RPALVQCECYWIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18(2)25-29-23-12-13-30(15-20-6-4-3-5-7-20)16-22(23)26(33)31(25)17-24(32)28-14-19-8-10-21(27)11-9-19/h3-11,18H,12-17H2,1-2H3,(H,28,32).
What are the key properties of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53143482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).