N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide

C23H30N8O4S — CID 70695331

IUPACN-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H30N8O4S/c1-17(32)25-21-4-3-18(13-24-21)20-16-30-15-19(14-28-5-7-31(8-6-28)36(2,33)34)26-22(30)23(27-20)29-9-11-35-12-10-29/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,24,25,32)
InChIKeyVJUNWGUVXUKGBH-UHFFFAOYSA-N
MW514.61 g/mol
LogP0.66
Rot. Bonds6

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

N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide (PubChem CID 70695331) has the molecular formula C23H30N8O4S and a molecular weight of 514.61 g/mol. Its IUPAC name is N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide
PubChem CID70695331
Molecular FormulaC23H30N8O4S
Molecular Weight514.61 g/mol
Exact Mass514.21
IUPAC NameN-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H30N8O4S/c1-17(32)25-21-4-3-18(13-24-21)20-16-30-15-19(14-28-5-7-31(8-6-28)36(2,33)34)26-22(30)23(27-20)29-9-11-35-12-10-29/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,24,25,32)
InChIKeyVJUNWGUVXUKGBH-UHFFFAOYSA-N
XLogP0.66
TPSA125.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide (CID 70695331) is N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide?
The InChIKey is VJUNWGUVXUKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O4S/c1-17(32)25-21-4-3-18(13-24-21)20-16-30-15-19(14-28-5-7-31(8-6-28)36(2,33)34)26-22(30)23(27-20)29-9-11-35-12-10-29/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,24,25,32).
What are the key properties of N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide?
N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 514.61 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 70695331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).