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

C25H23FN6O2S — CID 16679161

IUPAC3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H23FN6O2S/c26-18-5-7-19(8-6-18)35(33,34)31-12-9-16(10-13-31)25-30-22(23-24(27)28-11-14-32(23)25)21-15-17-3-1-2-4-20(17)29-21/h1-8,11,14-16,29H,9-10,12-13H2,(H2,27,28)
InChIKeyJMABHUKULIGRNF-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.17
Rot. Bonds4

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

3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 16679161) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID16679161
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC Name3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H23FN6O2S/c26-18-5-7-19(8-6-18)35(33,34)31-12-9-16(10-13-31)25-30-22(23-24(27)28-11-14-32(23)25)21-15-17-3-1-2-4-20(17)29-21/h1-8,11,14-16,29H,9-10,12-13H2,(H2,27,28)
InChIKeyJMABHUKULIGRNF-UHFFFAOYSA-N
XLogP4.17
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 16679161) is 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is JMABHUKULIGRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c26-18-5-7-19(8-6-18)35(33,34)31-12-9-16(10-13-31)25-30-22(23-24(27)28-11-14-32(23)25)21-15-17-3-1-2-4-20(17)29-21/h1-8,11,14-16,29H,9-10,12-13H2,(H2,27,28).
What are the key properties of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 490.56 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 16679161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).