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

C24H29N7O3S — CID 70691133

IUPAC4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4ccc5[nH]ccc5c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C24H29N7O3S/c1-35(32,33)31-8-6-28(7-9-31)15-20-16-30-17-22(18-2-3-21-19(14-18)4-5-25-21)27-24(23(30)26-20)29-10-12-34-13-11-29/h2-5,14,16-17,25H,6-13,15H2,1H3
InChIKeyOXRUWBFEUDVZGZ-UHFFFAOYSA-N
MW495.61 g/mol
LogP1.79
Rot. Bonds5

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

4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 70691133) has the molecular formula C24H29N7O3S and a molecular weight of 495.61 g/mol. Its IUPAC name is 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID70691133
Molecular FormulaC24H29N7O3S
Molecular Weight495.61 g/mol
Exact Mass495.21
IUPAC Name4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cn3cc(-c4ccc5[nH]ccc5c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C24H29N7O3S/c1-35(32,33)31-8-6-28(7-9-31)15-20-16-30-17-22(18-2-3-21-19(14-18)4-5-25-21)27-24(23(30)26-20)29-10-12-34-13-11-29/h2-5,14,16-17,25H,6-13,15H2,1H3
InChIKeyOXRUWBFEUDVZGZ-UHFFFAOYSA-N
XLogP1.79
TPSA99.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 70691133) is 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is CS(=O)(=O)N1CCN(Cc2cn3cc(-c4ccc5[nH]ccc5c4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is OXRUWBFEUDVZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S/c1-35(32,33)31-8-6-28(7-9-31)15-20-16-30-17-22(18-2-3-21-19(14-18)4-5-25-21)27-24(23(30)26-20)29-10-12-34-13-11-29/h2-5,14,16-17,25H,6-13,15H2,1H3.
What are the key properties of 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 495.61 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-5-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 70691133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).