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

C25H29FN4O4S — CID 25130418

IUPAC7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C25H29FN4O4S/c1-25(2,3)21(16-31)27-24(32)22-20-15-29(35(33,34)19-11-9-18(26)10-12-19)13-14-30(20)23(28-22)17-7-5-4-6-8-17/h4-12,21,31H,13-16H2,1-3H3,(H,27,32)/t21-/m1/s1
InChIKeyAPCXLRTVFKLJNY-OAQYLSRUSA-N
MW500.60 g/mol
LogP3.03
Rot. Bonds6

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

7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 25130418) has the molecular formula C25H29FN4O4S and a molecular weight of 500.60 g/mol. Its IUPAC name is 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID25130418
Molecular FormulaC25H29FN4O4S
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C25H29FN4O4S/c1-25(2,3)21(16-31)27-24(32)22-20-15-29(35(33,34)19-11-9-18(26)10-12-19)13-14-30(20)23(28-22)17-7-5-4-6-8-17/h4-12,21,31H,13-16H2,1-3H3,(H,27,32)/t21-/m1/s1
InChIKeyAPCXLRTVFKLJNY-OAQYLSRUSA-N
XLogP3.03
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-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 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 25130418) is 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC(C)(C)[C@@H](CO)NC(=O)c1nc(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is APCXLRTVFKLJNY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29FN4O4S/c1-25(2,3)21(16-31)27-24(32)22-20-15-29(35(33,34)19-11-9-18(26)10-12-19)13-14-30(20)23(28-22)17-7-5-4-6-8-17/h4-12,21,31H,13-16H2,1-3H3,(H,27,32)/t21-/m1/s1.
What are the key properties of 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)sulfonyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 25130418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).