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

C25H22FN5O2S — CID 141173007

IUPAC3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3cnccn23)CC1
InChIInChI=1S/C25H22FN5O2S/c26-19-5-3-6-20(15-19)34(32,33)30-11-8-17(9-12-30)25-29-24(23-16-27-10-13-31(23)25)22-14-18-4-1-2-7-21(18)28-22/h1-7,10,13-17,28H,8-9,11-12H2
InChIKeyZRULLRRYXDGRAO-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.59
Rot. Bonds4

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

3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine (PubChem CID 141173007) has the molecular formula C25H22FN5O2S and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine
PubChem CID141173007
Molecular FormulaC25H22FN5O2S
Molecular Weight475.55 g/mol
Exact Mass475.15
IUPAC Name3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3cnccn23)CC1
InChIInChI=1S/C25H22FN5O2S/c26-19-5-3-6-20(15-19)34(32,33)30-11-8-17(9-12-30)25-29-24(23-16-27-10-13-31(23)25)22-14-18-4-1-2-7-21(18)28-22/h1-7,10,13-17,28H,8-9,11-12H2
InChIKeyZRULLRRYXDGRAO-UHFFFAOYSA-N
XLogP4.59
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine?
The IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine (CID 141173007) is 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine is O=S(=O)(c1cccc(F)c1)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3cnccn23)CC1.
What is the InChIKey of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine?
The InChIKey is ZRULLRRYXDGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2S/c26-19-5-3-6-20(15-19)34(32,33)30-11-8-17(9-12-30)25-29-24(23-16-27-10-13-31(23)25)22-14-18-4-1-2-7-21(18)28-22/h1-7,10,13-17,28H,8-9,11-12H2.
What are the key properties of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine?
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine has a molecular weight of 475.55 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 141173007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).