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

C26H30FN5O4S — CID 25129723

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2)C(C)(C)C
InChIInChI=1S/C26H30FN5O4S/c1-26(2,3)22(25(34)28-4)30-24(33)21-20-16-31(37(35,36)19-12-10-18(27)11-13-19)14-15-32(20)23(29-21)17-8-6-5-7-9-17/h5-13,22H,14-16H2,1-4H3,(H,28,34)(H,30,33)/t22-/m1/s1
InChIKeyQOLCCQCWGRMOIE-JOCHJYFZSA-N
MW527.62 g/mol
LogP2.78
Rot. Bonds6

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

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 25129723) has the molecular formula C26H30FN5O4S and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID25129723
Molecular FormulaC26H30FN5O4S
Molecular Weight527.62 g/mol
Exact Mass527.20
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2)C(C)(C)C
InChIInChI=1S/C26H30FN5O4S/c1-26(2,3)22(25(34)28-4)30-24(33)21-20-16-31(37(35,36)19-12-10-18(27)11-13-19)14-15-32(20)23(29-21)17-8-6-5-7-9-17/h5-13,22H,14-16H2,1-4H3,(H,28,34)(H,30,33)/t22-/m1/s1
InChIKeyQOLCCQCWGRMOIE-JOCHJYFZSA-N
XLogP2.78
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 25129723) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is QOLCCQCWGRMOIE-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30FN5O4S/c1-26(2,3)22(25(34)28-4)30-24(33)21-20-16-31(37(35,36)19-12-10-18(27)11-13-19)14-15-32(20)23(29-21)17-8-6-5-7-9-17/h5-13,22H,14-16H2,1-4H3,(H,28,34)(H,30,33)/t22-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(4-fluorophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 25129723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).