2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C25H21FN4O4 — CID 91894046

IUPAC2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)c(C)o2)cc1
InChIInChI=1S/C25H21FN4O4/c1-15-21(27-24(34-15)16-6-8-19(33-2)9-7-16)13-29-10-11-30-23(25(29)32)20(14-31)22(28-30)17-4-3-5-18(26)12-17/h3-12,31H,13-14H2,1-2H3
InChIKeyGKEYPMJCAWECCP-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.81
Rot. Bonds6

About 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91894046) has the molecular formula C25H21FN4O4 and a molecular weight of 460.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91894046
Molecular FormulaC25H21FN4O4
Molecular Weight460.47 g/mol
Exact Mass460.15
IUPAC Name2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)c(C)o2)cc1
InChIInChI=1S/C25H21FN4O4/c1-15-21(27-24(34-15)16-6-8-19(33-2)9-7-16)13-29-10-11-30-23(25(29)32)20(14-31)22(28-30)17-4-3-5-18(26)12-17/h3-12,31H,13-14H2,1-2H3
InChIKeyGKEYPMJCAWECCP-UHFFFAOYSA-N
XLogP3.81
TPSA94.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894044
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894106
5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894074
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894080
3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893949
3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893848
5-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893880
2-(4-chlorophenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092968
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(hydroxymethyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894018
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893882
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894146
7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 91893971

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 91894046) is 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2nc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)c(C)o2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GKEYPMJCAWECCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4/c1-15-21(27-24(34-15)16-6-8-19(33-2)9-7-16)13-29-10-11-30-23(25(29)32)20(14-31)22(28-30)17-4-3-5-18(26)12-17/h3-12,31H,13-14H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 460.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91894046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).