5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine

C21H28N8O3S — CID 70682713

IUPAC5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C21H28N8O3S/c1-33(30,31)29-6-4-26(5-7-29)13-17-14-28-15-18(16-2-3-19(22)23-12-16)25-21(20(28)24-17)27-8-10-32-11-9-27/h2-3,12,14-15H,4-11,13H2,1H3,(H2,22,23)
InChIKeyFQEWTARJFOWACQ-UHFFFAOYSA-N
MW472.58 g/mol
LogP0.29
Rot. Bonds5

About 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine

5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine (PubChem CID 70682713) has the molecular formula C21H28N8O3S and a molecular weight of 472.58 g/mol. Its IUPAC name is 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine
PubChem CID70682713
Molecular FormulaC21H28N8O3S
Molecular Weight472.58 g/mol
Exact Mass472.20
IUPAC Name5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C21H28N8O3S/c1-33(30,31)29-6-4-26(5-7-29)13-17-14-28-15-18(16-2-3-19(22)23-12-16)25-21(20(28)24-17)27-8-10-32-11-9-27/h2-3,12,14-15H,4-11,13H2,1H3,(H2,22,23)
InChIKeyFQEWTARJFOWACQ-UHFFFAOYSA-N
XLogP0.29
TPSA122.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine?
The IUPAC name of 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine (CID 70682713) is 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine?
The canonical SMILES for 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine is CS(=O)(=O)N1CCN(Cc2cn3cc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine?
The InChIKey is FQEWTARJFOWACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O3S/c1-33(30,31)29-6-4-26(5-7-29)13-17-14-28-15-18(16-2-3-19(22)23-12-16)25-21(20(28)24-17)27-8-10-32-11-9-27/h2-3,12,14-15H,4-11,13H2,1H3,(H2,22,23).
What are the key properties of 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine?
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine has a molecular weight of 472.58 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine is sourced from PubChem (CID 70682713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).