N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide

C13H17FN6O2S — CID 131641917

IUPACN-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(c2ncc(F)cn2)Cc2cncn21
InChIInChI=1S/C13H17FN6O2S/c1-2-23(21,22)18-6-12-8-19(7-11-5-15-9-20(11)12)13-16-3-10(14)4-17-13/h3-5,9,12,18H,2,6-8H2,1H3
InChIKeyWOVNUBZQLSDEHQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.31
Rot. Bonds5

About N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide

N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide (PubChem CID 131641917) has the molecular formula C13H17FN6O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
PubChem CID131641917
Molecular FormulaC13H17FN6O2S
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC NameN-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(c2ncc(F)cn2)Cc2cncn21
InChIInChI=1S/C13H17FN6O2S/c1-2-23(21,22)18-6-12-8-19(7-11-5-15-9-20(11)12)13-16-3-10(14)4-17-13/h3-5,9,12,18H,2,6-8H2,1H3
InChIKeyWOVNUBZQLSDEHQ-UHFFFAOYSA-N
XLogP0.31
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide (CID 131641917) is N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CN(c2ncc(F)cn2)Cc2cncn21.
What is the InChIKey of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
The InChIKey is WOVNUBZQLSDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O2S/c1-2-23(21,22)18-6-12-8-19(7-11-5-15-9-20(11)12)13-16-3-10(14)4-17-13/h3-5,9,12,18H,2,6-8H2,1H3.
What are the key properties of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide?
N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide has a molecular weight of 340.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131641917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).