N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C24H27FN4O3S — CID 25130420

IUPACN-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C24H27FN4O3S/c1-24(2,3)16-26-23(30)21-20-15-28(33(31,32)19-11-9-18(25)10-12-19)13-14-29(20)22(27-21)17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,26,30)
InChIKeyBPNXWFRQQJFKJS-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.67
Rot. Bonds5

About N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 25130420) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID25130420
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC NameN-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C24H27FN4O3S/c1-24(2,3)16-26-23(30)21-20-15-28(33(31,32)19-11-9-18(25)10-12-19)13-14-29(20)22(27-21)17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,26,30)
InChIKeyBPNXWFRQQJFKJS-UHFFFAOYSA-N
XLogP3.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 25130420) is N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC(C)(C)CNC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is BPNXWFRQQJFKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-24(2,3)16-26-23(30)21-20-15-28(33(31,32)19-11-9-18(25)10-12-19)13-14-29(20)22(27-21)17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,26,30).
What are the key properties of N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 25130420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).