5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one

C24H22FN5O2 — CID 16956878

IUPAC5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H22FN5O2/c25-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23(31)17-29-14-15-30-22(24(29)32)16-20(26-30)18-6-2-1-3-7-18/h1-9,14-16H,10-13,17H2
InChIKeyJOKJIZZYPYLCFC-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.65
Rot. Bonds4

About 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one

5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 16956878) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID16956878
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H22FN5O2/c25-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23(31)17-29-14-15-30-22(24(29)32)16-20(26-30)18-6-2-1-3-7-18/h1-9,14-16H,10-13,17H2
InChIKeyJOKJIZZYPYLCFC-UHFFFAOYSA-N
XLogP2.65
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 16956878) is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JOKJIZZYPYLCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23(31)17-29-14-15-30-22(24(29)32)16-20(26-30)18-6-2-1-3-7-18/h1-9,14-16H,10-13,17H2.
What are the key properties of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 431.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 16956878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).