4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione

C24H20FN5O2 — CID 53333641

IUPAC4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
SMILESO=C1CN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C24H20FN5O2/c25-19-8-6-18(7-9-19)20-14-21-24(26-11-13-30(21)27-20)28-15-22(31)29(23(32)16-28)12-10-17-4-2-1-3-5-17/h1-9,11,13-14H,10,12,15-16H2
InChIKeyFBJDQTJRVJCWIY-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.95
Rot. Bonds5

About 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione

4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione (PubChem CID 53333641) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
PubChem CID53333641
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
SMILESO=C1CN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C24H20FN5O2/c25-19-8-6-18(7-9-19)20-14-21-24(26-11-13-30(21)27-20)28-15-22(31)29(23(32)16-28)12-10-17-4-2-1-3-5-17/h1-9,11,13-14H,10,12,15-16H2
InChIKeyFBJDQTJRVJCWIY-UHFFFAOYSA-N
XLogP2.95
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 53333799
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 53085986
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]morpholine
CID 53333624
[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 53333640
2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
CID 122369527
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 50797159
(3S)-N-[(4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073624
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 50797136
ethyl (3S)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxylate
CID 95183719
N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797416
2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine
CID 54597175
3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-phenylpropyl)propanamide
CID 53332375

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione (CID 53333641) is 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione is O=C1CN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC(=O)N1CCc1ccccc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
The InChIKey is FBJDQTJRVJCWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-19-8-6-18(7-9-19)20-14-21-24(26-11-13-30(21)27-20)28-15-22(31)29(23(32)16-28)12-10-17-4-2-1-3-5-17/h1-9,11,13-14H,10,12,15-16H2.
What are the key properties of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione has a molecular weight of 429.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione is sourced from PubChem (CID 53333641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).