N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C23H32N4O3S — CID 66931733

IUPACN-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCS(=O)(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C)C3CCCCC3)c2C1
InChIInChI=1S/C23H32N4O3S/c1-3-31(29,30)26-14-15-27-20(16-26)21(25-22(27)19-12-8-5-9-13-19)23(28)24-17(2)18-10-6-4-7-11-18/h5,8-9,12-13,17-18H,3-4,6-7,10-11,14-16H2,1-2H3,(H,24,28)
InChIKeyZZKRAXHTZSAGRF-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.41
Rot. Bonds6

About N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66931733) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66931733
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCS(=O)(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C)C3CCCCC3)c2C1
InChIInChI=1S/C23H32N4O3S/c1-3-31(29,30)26-14-15-27-20(16-26)21(25-22(27)19-12-8-5-9-13-19)23(28)24-17(2)18-10-6-4-7-11-18/h5,8-9,12-13,17-18H,3-4,6-7,10-11,14-16H2,1-2H3,(H,24,28)
InChIKeyZZKRAXHTZSAGRF-UHFFFAOYSA-N
XLogP3.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 66931733) is N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CCS(=O)(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C)C3CCCCC3)c2C1.
What is the InChIKey of N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is ZZKRAXHTZSAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-3-31(29,30)26-14-15-27-20(16-26)21(25-22(27)19-12-8-5-9-13-19)23(28)24-17(2)18-10-6-4-7-11-18/h5,8-9,12-13,17-18H,3-4,6-7,10-11,14-16H2,1-2H3,(H,24,28).
What are the key properties of N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66931733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).