1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

C26H26N6O2S — CID 16679255

IUPAC1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1
InChIInChI=1S/C26H26N6O2S/c1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22/h2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28)
InChIKeyDISUZICSGLFIBW-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.34
Rot. Bonds4

About 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 16679255) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID16679255
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1
InChIInChI=1S/C26H26N6O2S/c1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22/h2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28)
InChIKeyDISUZICSGLFIBW-UHFFFAOYSA-N
XLogP4.34
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (CID 16679255) is 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.
What is the InChIKey of 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is DISUZICSGLFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22/h2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28).
What are the key properties of 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 486.60 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 16679255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).