[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid

C24H29N7O3S — CID 68762454

IUPAC[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
SMILESO=S(O)CN1CCN(Cc2cn3cc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C24H29N7O3S/c32-35(33)17-29-8-6-28(7-9-29)14-18-15-31-16-22(19-2-1-3-21-20(19)4-5-25-21)27-24(23(31)26-18)30-10-12-34-13-11-30/h1-5,15-16,25H,6-14,17H2,(H,32,33)
InChIKeyVFAHUZJVARIIJX-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.01
Rot. Bonds6

About [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid

[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid (PubChem CID 68762454) has the molecular formula C24H29N7O3S and a molecular weight of 495.61 g/mol. Its IUPAC name is [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid.

Molecular Properties

Compound Name[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
PubChem CID68762454
Molecular FormulaC24H29N7O3S
Molecular Weight495.61 g/mol
Exact Mass495.21
IUPAC Name[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
SMILESO=S(O)CN1CCN(Cc2cn3cc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C24H29N7O3S/c32-35(33)17-29-8-6-28(7-9-29)14-18-15-31-16-22(19-2-1-3-21-20(19)4-5-25-21)27-24(23(31)26-18)30-10-12-34-13-11-30/h1-5,15-16,25H,6-14,17H2,(H,32,33)
InChIKeyVFAHUZJVARIIJX-UHFFFAOYSA-N
XLogP2.01
TPSA102.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[4-[[8-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 66751450
4-[2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-(1H-indazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067975
8-[[6-(1H-indazol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 90067971
3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
CID 90067954
1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid
CID 146216100
2-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylquinazolin-6-yl]methyl]piperazin-1-yl]ethanol
CID 25141999
[4-[[2-(1H-indazol-4-yl)-9-(2-methoxyethyl)-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 174617578
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
CID 25097394
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067912
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697346

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid?
The IUPAC name of [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid (CID 68762454) is [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid.
What is the SMILES notation for [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid?
The canonical SMILES for [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid is O=S(O)CN1CCN(Cc2cn3cc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid?
The InChIKey is VFAHUZJVARIIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S/c32-35(33)17-29-8-6-28(7-9-29)14-18-15-31-16-22(19-2-1-3-21-20(19)4-5-25-21)27-24(23(31)26-18)30-10-12-34-13-11-30/h1-5,15-16,25H,6-14,17H2,(H,32,33).
What are the key properties of [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid?
[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid has a molecular weight of 495.61 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid is sourced from PubChem (CID 68762454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).