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

C24H25FN4O2 — CID 5301752

IUPAC2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(N(C)C)cc1)N2c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c1-15-13-17(14-31-4)21-23(26-15)29(20-11-7-18(25)8-12-20)22(27-24(21)30)16-5-9-19(10-6-16)28(2)3/h5-13,22H,14H2,1-4H3,(H,27,30)
InChIKeyBDOGBBUGGPOAOM-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.32
Rot. Bonds5

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

2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 5301752) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID5301752
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(N(C)C)cc1)N2c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c1-15-13-17(14-31-4)21-23(26-15)29(20-11-7-18(25)8-12-20)22(27-24(21)30)16-5-9-19(10-6-16)28(2)3/h5-13,22H,14H2,1-4H3,(H,27,30)
InChIKeyBDOGBBUGGPOAOM-UHFFFAOYSA-N
XLogP4.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(dimethylamino)phenyl]-1-(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 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 5301752) is 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is COCc1cc(C)nc2c1C(=O)NC(c1ccc(N(C)C)cc1)N2c1ccc(F)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is BDOGBBUGGPOAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-15-13-17(14-31-4)21-23(26-15)29(20-11-7-18(25)8-12-20)22(27-24(21)30)16-5-9-19(10-6-16)28(2)3/h5-13,22H,14H2,1-4H3,(H,27,30).
What are the key properties of 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 420.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5301752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).