2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one

C24H23FN4O2 — CID 67776325

IUPAC2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one
SMILESCn1cc(Cc2cn(C)c(CCc3ccc(Oc4ccc(F)cc4)cc3)nc2=O)cn1
InChIInChI=1S/C24H23FN4O2/c1-28-16-19(13-18-14-26-29(2)15-18)24(30)27-23(28)12-5-17-3-8-21(9-4-17)31-22-10-6-20(25)7-11-22/h3-4,6-11,14-16H,5,12-13H2,1-2H3
InChIKeyIQJDZTYBPLMRDW-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one

2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 67776325) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one
PubChem CID67776325
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one
SMILESCn1cc(Cc2cn(C)c(CCc3ccc(Oc4ccc(F)cc4)cc3)nc2=O)cn1
InChIInChI=1S/C24H23FN4O2/c1-28-16-19(13-18-14-26-29(2)15-18)24(30)27-23(28)12-5-17-3-8-21(9-4-17)31-22-10-6-20(25)7-11-22/h3-4,6-11,14-16H,5,12-13H2,1-2H3
InChIKeyIQJDZTYBPLMRDW-UHFFFAOYSA-N
XLogP3.82
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]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-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one (CID 67776325) is 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one is Cn1cc(Cc2cn(C)c(CCc3ccc(Oc4ccc(F)cc4)cc3)nc2=O)cn1.
What is the InChIKey of 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is IQJDZTYBPLMRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-28-16-19(13-18-14-26-29(2)15-18)24(30)27-23(28)12-5-17-3-8-21(9-4-17)31-22-10-6-20(25)7-11-22/h3-4,6-11,14-16H,5,12-13H2,1-2H3.
What are the key properties of 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one?
2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 418.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenoxy)phenyl]ethyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 67776325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).