4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C23H28N8O3S — CID 70697345

IUPAC4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4cnc5[nH]ccc5c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H28N8O3S/c1-35(32,33)31-6-4-28(5-7-31)14-19-15-30-16-20(18-12-17-2-3-24-21(17)25-13-18)27-23(22(30)26-19)29-8-10-34-11-9-29/h2-3,12-13,15-16H,4-11,14H2,1H3,(H,24,25)
InChIKeyRHHVXWQSGJNNDR-UHFFFAOYSA-N
MW496.60 g/mol
LogP1.19
Rot. Bonds5

About 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 70697345) has the molecular formula C23H28N8O3S and a molecular weight of 496.60 g/mol. Its IUPAC name is 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID70697345
Molecular FormulaC23H28N8O3S
Molecular Weight496.60 g/mol
Exact Mass496.20
IUPAC Name4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4cnc5[nH]ccc5c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H28N8O3S/c1-35(32,33)31-6-4-28(5-7-31)14-19-15-30-16-20(18-12-17-2-3-24-21(17)25-13-18)27-23(22(30)26-19)29-8-10-34-11-9-29/h2-3,12-13,15-16H,4-11,14H2,1H3,(H,24,25)
InChIKeyRHHVXWQSGJNNDR-UHFFFAOYSA-N
XLogP1.19
TPSA111.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 70697345) is 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is CS(=O)(=O)N1CCN(Cc2cn3cc(-c4cnc5[nH]ccc5c4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is RHHVXWQSGJNNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3S/c1-35(32,33)31-6-4-28(5-7-31)14-19-15-30-16-20(18-12-17-2-3-24-21(17)25-13-18)27-23(22(30)26-19)29-8-10-34-11-9-29/h2-3,12-13,15-16H,4-11,14H2,1H3,(H,24,25).
What are the key properties of 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 496.60 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 70697345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).