4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C21H28N8O3S — CID 70686955

IUPAC4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1ncc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H28N8O3S/c1-16-22-11-17(12-23-16)19-15-28-14-18(13-26-3-5-29(6-4-26)33(2,30)31)24-20(28)21(25-19)27-7-9-32-10-8-27/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyBOWQYWJYXVGKJG-UHFFFAOYSA-N
MW472.58 g/mol
LogP0.41
Rot. Bonds5

About 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 70686955) has the molecular formula C21H28N8O3S and a molecular weight of 472.58 g/mol. Its IUPAC name is 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID70686955
Molecular FormulaC21H28N8O3S
Molecular Weight472.58 g/mol
Exact Mass472.20
IUPAC Name4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1ncc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H28N8O3S/c1-16-22-11-17(12-23-16)19-15-28-14-18(13-26-3-5-29(6-4-26)33(2,30)31)24-20(28)21(25-19)27-7-9-32-10-8-27/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyBOWQYWJYXVGKJG-UHFFFAOYSA-N
XLogP0.41
TPSA109.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 70686955) is 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is Cc1ncc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is BOWQYWJYXVGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O3S/c1-16-22-11-17(12-23-16)19-15-28-14-18(13-26-3-5-29(6-4-26)33(2,30)31)24-20(28)21(25-19)27-7-9-32-10-8-27/h11-12,14-15H,3-10,13H2,1-2H3.
What are the key properties of 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 472.58 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methylpyrimidin-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 70686955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).