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

C26H23FN4O3 — CID 53092977

IUPAC2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C26H23FN4O3/c1-16(2)33-21-10-6-19(7-11-21)25-28-23(17(3)34-25)15-30-12-13-31-24(26(30)32)14-22(29-31)18-4-8-20(27)9-5-18/h4-14,16H,15H2,1-3H3
InChIKeyQLMCALBGUAACSB-UHFFFAOYSA-N
MW458.49 g/mol
LogP5.10
Rot. Bonds6

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

2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53092977) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53092977
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Name2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C26H23FN4O3/c1-16(2)33-21-10-6-19(7-11-21)25-28-23(17(3)34-25)15-30-12-13-31-24(26(30)32)14-22(29-31)18-4-8-20(27)9-5-18/h4-14,16H,15H2,1-3H3
InChIKeyQLMCALBGUAACSB-UHFFFAOYSA-N
XLogP5.10
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53092977) is 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QLMCALBGUAACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-16(2)33-21-10-6-19(7-11-21)25-28-23(17(3)34-25)15-30-12-13-31-24(26(30)32)14-22(29-31)18-4-8-20(27)9-5-18/h4-14,16H,15H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 458.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53092977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).