3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine

C24H26FN7O2S — CID 68792824

IUPAC3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCc1cnc(N2CCC(c3ncc4c(Nc5ccc(S(C)(=O)=O)cc5F)nccn34)CC2)nc1
InChIInChI=1S/C24H26FN7O2S/c1-3-16-13-28-24(29-14-16)31-9-6-17(7-10-31)23-27-15-21-22(26-8-11-32(21)23)30-20-5-4-18(12-19(20)25)35(2,33)34/h4-5,8,11-15,17H,3,6-7,9-10H2,1-2H3,(H,26,30)
InChIKeyAFRAFCQBKLRCDX-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.75
Rot. Bonds6

About 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine

3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 68792824) has the molecular formula C24H26FN7O2S and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID68792824
Molecular FormulaC24H26FN7O2S
Molecular Weight495.58 g/mol
Exact Mass495.19
IUPAC Name3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCc1cnc(N2CCC(c3ncc4c(Nc5ccc(S(C)(=O)=O)cc5F)nccn34)CC2)nc1
InChIInChI=1S/C24H26FN7O2S/c1-3-16-13-28-24(29-14-16)31-9-6-17(7-10-31)23-27-15-21-22(26-8-11-32(21)23)30-20-5-4-18(12-19(20)25)35(2,33)34/h4-5,8,11-15,17H,3,6-7,9-10H2,1-2H3,(H,26,30)
InChIKeyAFRAFCQBKLRCDX-UHFFFAOYSA-N
XLogP3.75
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 68792824) is 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine is CCc1cnc(N2CCC(c3ncc4c(Nc5ccc(S(C)(=O)=O)cc5F)nccn34)CC2)nc1.
What is the InChIKey of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is AFRAFCQBKLRCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2S/c1-3-16-13-28-24(29-14-16)31-9-6-17(7-10-31)23-27-15-21-22(26-8-11-32(21)23)30-20-5-4-18(12-19(20)25)35(2,33)34/h4-5,8,11-15,17H,3,6-7,9-10H2,1-2H3,(H,26,30).
What are the key properties of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 495.58 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 68792824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).