4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

C23H22FN5O — CID 137053624

IUPAC4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCN1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C23H22FN5O/c1-27-12-14-28(15-13-27)22-23-26-20(16-2-6-18(24)7-3-16)21(29(23)11-10-25-22)17-4-8-19(30)9-5-17/h2-11,30H,12-15H2,1H3
InChIKeyHWMOHRDGKQOVEK-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.66
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137053624) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137053624
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCN1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C23H22FN5O/c1-27-12-14-28(15-13-27)22-23-26-20(16-2-6-18(24)7-3-16)21(29(23)11-10-25-22)17-4-8-19(30)9-5-17/h2-11,30H,12-15H2,1H3
InChIKeyHWMOHRDGKQOVEK-UHFFFAOYSA-N
XLogP3.66
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137053624) is 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is CN1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is HWMOHRDGKQOVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-27-12-14-28(15-13-27)22-23-26-20(16-2-6-18(24)7-3-16)21(29(23)11-10-25-22)17-4-8-19(30)9-5-17/h2-11,30H,12-15H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 403.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137053624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).