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

C22H19BrFN3O2 — CID 5301763

IUPAC2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(Br)cc1)N2c1ccc(F)cc1
InChIInChI=1S/C22H19BrFN3O2/c1-13-11-15(12-29-2)19-21(25-13)27(18-9-7-17(24)8-10-18)20(26-22(19)28)14-3-5-16(23)6-4-14/h3-11,20H,12H2,1-2H3,(H,26,28)
InChIKeyWXANLIWEFCVIFW-UHFFFAOYSA-N
MW456.32 g/mol
LogP5.02
Rot. Bonds4

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

2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 5301763) has the molecular formula C22H19BrFN3O2 and a molecular weight of 456.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID5301763
Molecular FormulaC22H19BrFN3O2
Molecular Weight456.32 g/mol
Exact Mass455.06
IUPAC Name2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(Br)cc1)N2c1ccc(F)cc1
InChIInChI=1S/C22H19BrFN3O2/c1-13-11-15(12-29-2)19-21(25-13)27(18-9-7-17(24)8-10-18)20(26-22(19)28)14-3-5-16(23)6-4-14/h3-11,20H,12H2,1-2H3,(H,26,28)
InChIKeyWXANLIWEFCVIFW-UHFFFAOYSA-N
XLogP5.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 5301763) is 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is COCc1cc(C)nc2c1C(=O)NC(c1ccc(Br)cc1)N2c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WXANLIWEFCVIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN3O2/c1-13-11-15(12-29-2)19-21(25-13)27(18-9-7-17(24)8-10-18)20(26-22(19)28)14-3-5-16(23)6-4-14/h3-11,20H,12H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 456.32 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5301763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).