2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C18H12F3N5O2 — CID 171526186

IUPAC2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(F)c(Cc2nc(-c3nc(O)c(F)c(=O)[nH]3)cn3ccnc23)cc1F
InChIInChI=1S/C18H12F3N5O2/c1-8-4-11(20)9(5-10(8)19)6-12-16-22-2-3-26(16)7-13(23-12)15-24-17(27)14(21)18(28)25-15/h2-5,7H,6H2,1H3,(H2,24,25,27,28)
InChIKeyWUCLGXZOBMAFRQ-UHFFFAOYSA-N
MW387.32 g/mol
LogP2.50
Rot. Bonds3

About 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 171526186) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID171526186
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(F)c(Cc2nc(-c3nc(O)c(F)c(=O)[nH]3)cn3ccnc23)cc1F
InChIInChI=1S/C18H12F3N5O2/c1-8-4-11(20)9(5-10(8)19)6-12-16-22-2-3-26(16)7-13(23-12)15-24-17(27)14(21)18(28)25-15/h2-5,7H,6H2,1H3,(H2,24,25,27,28)
InChIKeyWUCLGXZOBMAFRQ-UHFFFAOYSA-N
XLogP2.50
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-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-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 171526186) is 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is Cc1cc(F)c(Cc2nc(-c3nc(O)c(F)c(=O)[nH]3)cn3ccnc23)cc1F.
What is the InChIKey of 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WUCLGXZOBMAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c1-8-4-11(20)9(5-10(8)19)6-12-16-22-2-3-26(16)7-13(23-12)15-24-17(27)14(21)18(28)25-15/h2-5,7H,6H2,1H3,(H2,24,25,27,28).
What are the key properties of 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 387.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 171526186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).