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

C22H18Cl2FN3O2 — CID 5301765

IUPAC2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(Cl)c(Cl)c1)N2c1ccc(F)cc1
InChIInChI=1S/C22H18Cl2FN3O2/c1-12-9-14(11-30-2)19-21(26-12)28(16-6-4-15(25)5-7-16)20(27-22(19)29)13-3-8-17(23)18(24)10-13/h3-10,20H,11H2,1-2H3,(H,27,29)
InChIKeyXCFPCVCHWFLMCW-UHFFFAOYSA-N
MW446.31 g/mol
LogP5.56
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 5301765) has the molecular formula C22H18Cl2FN3O2 and a molecular weight of 446.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID5301765
Molecular FormulaC22H18Cl2FN3O2
Molecular Weight446.31 g/mol
Exact Mass445.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(Cl)c(Cl)c1)N2c1ccc(F)cc1
InChIInChI=1S/C22H18Cl2FN3O2/c1-12-9-14(11-30-2)19-21(26-12)28(16-6-4-15(25)5-7-16)20(27-22(19)29)13-3-8-17(23)18(24)10-13/h3-10,20H,11H2,1-2H3,(H,27,29)
InChIKeyXCFPCVCHWFLMCW-UHFFFAOYSA-N
XLogP5.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.31
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 5301765) is 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is COCc1cc(C)nc2c1C(=O)NC(c1ccc(Cl)c(Cl)c1)N2c1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XCFPCVCHWFLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN3O2/c1-12-9-14(11-30-2)19-21(26-12)28(16-6-4-15(25)5-7-16)20(27-22(19)29)13-3-8-17(23)18(24)10-13/h3-10,20H,11H2,1-2H3,(H,27,29).
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 446.31 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5301765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).