3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol

C21H26N6O2 — CID 57401845

IUPAC3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCN1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1
InChIInChI=1S/C21H26N6O2/c1-24-5-7-25(8-6-24)19-14-22-20-21(26-9-11-29-12-10-26)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3
InChIKeyWSYNSMXYGBFLCD-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.69
Rot. Bonds3

About 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol

3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 57401845) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID57401845
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCN1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1
InChIInChI=1S/C21H26N6O2/c1-24-5-7-25(8-6-24)19-14-22-20-21(26-9-11-29-12-10-26)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3
InChIKeyWSYNSMXYGBFLCD-UHFFFAOYSA-N
XLogP1.69
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (CID 57401845) is 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is CN1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is WSYNSMXYGBFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-24-5-7-25(8-6-24)19-14-22-20-21(26-9-11-29-12-10-26)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 394.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 57401845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).