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

C24H20N4O3 — CID 16956487

IUPAC2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1
InChIInChI=1S/C24H20N4O3/c1-16-21(25-23(31-16)18-6-4-3-5-7-18)15-27-12-13-28-22(24(27)29)14-20(26-28)17-8-10-19(30-2)11-9-17/h3-14H,15H2,1-2H3
InChIKeyAPDNLUWXNJMOOT-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.18
Rot. Bonds5

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

2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 16956487) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID16956487
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1
InChIInChI=1S/C24H20N4O3/c1-16-21(25-23(31-16)18-6-4-3-5-7-18)15-27-12-13-28-22(24(27)29)14-20(26-28)17-8-10-19(30-2)11-9-17/h3-14H,15H2,1-2H3
InChIKeyAPDNLUWXNJMOOT-UHFFFAOYSA-N
XLogP4.18
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 16956487) is 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is APDNLUWXNJMOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16-21(25-23(31-16)18-6-4-3-5-7-18)15-27-12-13-28-22(24(27)29)14-20(26-28)17-8-10-19(30-2)11-9-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 412.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 16956487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).