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

C22H28N6O2 — CID 57400039

IUPAC3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCN1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H28N6O2/c1-25-5-7-26(8-6-25)14-18-15-28-16-20(17-3-2-4-19(29)13-17)24-22(21(28)23-18)27-9-11-30-12-10-27/h2-4,13,15-16,29H,5-12,14H2,1H3
InChIKeyYEJZOKMTCINLAW-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.69
Rot. Bonds4

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

3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 57400039) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID57400039
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCN1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H28N6O2/c1-25-5-7-26(8-6-25)14-18-15-28-16-20(17-3-2-4-19(29)13-17)24-22(21(28)23-18)27-9-11-30-12-10-27/h2-4,13,15-16,29H,5-12,14H2,1H3
InChIKeyYEJZOKMTCINLAW-UHFFFAOYSA-N
XLogP1.69
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
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-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (CID 57400039) is 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is CN1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is YEJZOKMTCINLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-25-5-7-26(8-6-25)14-18-15-28-16-20(17-3-2-4-19(29)13-17)24-22(21(28)23-18)27-9-11-30-12-10-27/h2-4,13,15-16,29H,5-12,14H2,1H3.
What are the key properties of 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 408.51 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 57400039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).