1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

C23H22FN3O2 — CID 5298079

IUPAC1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(F)cc1)N2Cc1ccccc1
InChIInChI=1S/C23H22FN3O2/c1-15-12-18(14-29-2)20-22(25-15)27(13-16-6-4-3-5-7-16)21(26-23(20)28)17-8-10-19(24)11-9-17/h3-12,21H,13-14H2,1-2H3,(H,26,28)
InChIKeyMYUADMGTSJVWNV-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.12
Rot. Bonds5

About 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 5298079) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID5298079
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(F)cc1)N2Cc1ccccc1
InChIInChI=1S/C23H22FN3O2/c1-15-12-18(14-29-2)20-22(25-15)27(13-16-6-4-3-5-7-16)21(26-23(20)28)17-8-10-19(24)11-9-17/h3-12,21H,13-14H2,1-2H3,(H,26,28)
InChIKeyMYUADMGTSJVWNV-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one 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 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 5298079) is 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is COCc1cc(C)nc2c1C(=O)NC(c1ccc(F)cc1)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MYUADMGTSJVWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15-12-18(14-29-2)20-22(25-15)27(13-16-6-4-3-5-7-16)21(26-23(20)28)17-8-10-19(24)11-9-17/h3-12,21H,13-14H2,1-2H3,(H,26,28).
What are the key properties of 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 391.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5298079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).