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

C22H28N6O4S — CID 56966838

IUPAC3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H28N6O4S/c1-33(30,31)28-7-5-25(6-8-28)14-18-15-27-16-20(17-3-2-4-19(29)13-17)24-22(21(27)23-18)26-9-11-32-12-10-26/h2-4,13,15-16,29H,5-12,14H2,1H3
InChIKeyHNRYBEBMFRJUCR-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.02
Rot. Bonds5

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

3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 56966838) has the molecular formula C22H28N6O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID56966838
Molecular FormulaC22H28N6O4S
Molecular Weight472.57 g/mol
Exact Mass472.19
IUPAC Name3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H28N6O4S/c1-33(30,31)28-7-5-25(6-8-28)14-18-15-27-16-20(17-3-2-4-19(29)13-17)24-22(21(27)23-18)26-9-11-32-12-10-26/h2-4,13,15-16,29H,5-12,14H2,1H3
InChIKeyHNRYBEBMFRJUCR-UHFFFAOYSA-N
XLogP1.02
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol (CID 56966838) is 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is CS(=O)(=O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is HNRYBEBMFRJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S/c1-33(30,31)28-7-5-25(6-8-28)14-18-15-27-16-20(17-3-2-4-19(29)13-17)24-22(21(27)23-18)26-9-11-32-12-10-26/h2-4,13,15-16,29H,5-12,14H2,1H3.
What are the key properties of 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol?
3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 472.57 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 56966838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).