4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C23H23N5O — CID 137120123

IUPAC4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCN1CCN(c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1
InChIInChI=1S/C23H23N5O/c1-26-10-12-27(13-11-26)19-6-2-17(3-7-19)21-16-28-22(14-25-23(28)15-24-21)18-4-8-20(29)9-5-18/h2-9,14-16,29H,10-13H2,1H3
InChIKeyMOFWRHVJFVADOK-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.52
Rot. Bonds3

About 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137120123) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137120123
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCN1CCN(c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1
InChIInChI=1S/C23H23N5O/c1-26-10-12-27(13-11-26)19-6-2-17(3-7-19)21-16-28-22(14-25-23(28)15-24-21)18-4-8-20(29)9-5-18/h2-9,14-16,29H,10-13H2,1H3
InChIKeyMOFWRHVJFVADOK-UHFFFAOYSA-N
XLogP3.52
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137120123) is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is CN1CCN(c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1.
What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is MOFWRHVJFVADOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-26-10-12-27(13-11-26)19-6-2-17(3-7-19)21-16-28-22(14-25-23(28)15-24-21)18-4-8-20(29)9-5-18/h2-9,14-16,29H,10-13H2,1H3.
What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 385.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137120123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).