bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

C61H63F12N15O9 — CID 161433540

IUPACbis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2.CCOC(=O)c1ncn2c1CNCC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/2C18H17F5N4O2.C16H16F2N4O3.C9H13N3O2/c2*1-10(18(21,22)23)6-15(28)16-14-8-26(4-5-27(14)9-24-16)17(29)25-11-2-3-12(19)13(20)7-11;1-2-25-15(23)14-13-8-21(5-6-22(13)9-19-14)16(24)20-10-3-4-11(17)12(18)7-10;1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8/h2*2-3,7,9-10H,4-6,8H2,1H3,(H,25,29);3-4,7,9H,2,5-6,8H2,1H3,(H,20,24);6,10H,2-5H2,1H3/t2*10-;;/m00../s1
InChIKeyVYIKAFKYPZTMGN-XFMZQWNHSA-N
MW1378.25 g/mol
LogP10.51
Rot. Bonds13

About bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 161433540) has the molecular formula C61H63F12N15O9 and a molecular weight of 1378.25 g/mol. Its IUPAC name is bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namebis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID161433540
Molecular FormulaC61H63F12N15O9
Molecular Weight1378.25 g/mol
Exact Mass1377.47
IUPAC Namebis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2.CCOC(=O)c1ncn2c1CNCC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/2C18H17F5N4O2.C16H16F2N4O3.C9H13N3O2/c2*1-10(18(21,22)23)6-15(28)16-14-8-26(4-5-27(14)9-24-16)17(29)25-11-2-3-12(19)13(20)7-11;1-2-25-15(23)14-13-8-21(5-6-22(13)9-19-14)16(24)20-10-3-4-11(17)12(18)7-10;1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8/h2*2-3,7,9-10H,4-6,8H2,1H3,(H,25,29);3-4,7,9H,2,5-6,8H2,1H3,(H,20,24);6,10H,2-5H2,1H3/t2*10-;;/m00../s1
InChIKeyVYIKAFKYPZTMGN-XFMZQWNHSA-N
XLogP10.51
TPSA267.07 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.25
LogP ≤ 510.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate with MolForge

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Related Compounds

bis(ethyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate);ethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
CID 157238899
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;[4-(trifluoromethyl)phenyl]methanamine
CID 157389156
7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;bis(propan-2-yl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate);propan-2-yl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;dihydrochloride
CID 157524459
(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;bis((6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 157543367
bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158000017
1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride
CID 158225922
dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride
CID 159522699
2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
CID 159917322
bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-[(4-fluorophenyl)carbamoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
CID 160478307
5-amino-2-fluorobenzonitrile;7-O-tert-butyl 1-O-methyl 6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid;(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one
CID 160716475
[(6S)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate;bis((6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide)
CID 161119907
bis(tert-butyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate);tert-butyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
CID 161202969

Frequently Asked Questions

What is the IUPAC name of bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate (CID 161433540) is bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate is CCOC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2.CCOC(=O)c1ncn2c1CNCC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.
What is the InChIKey of bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is VYIKAFKYPZTMGN-XFMZQWNHSA-N. The full InChI is InChI=1S/2C18H17F5N4O2.C16H16F2N4O3.C9H13N3O2/c2*1-10(18(21,22)23)6-15(28)16-14-8-26(4-5-27(14)9-24-16)17(29)25-11-2-3-12(19)13(20)7-11;1-2-25-15(23)14-13-8-21(5-6-22(13)9-19-14)16(24)20-10-3-4-11(17)12(18)7-10;1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8/h2*2-3,7,9-10H,4-6,8H2,1H3,(H,25,29);3-4,7,9H,2,5-6,8H2,1H3,(H,20,24);6,10H,2-5H2,1H3/t2*10-;;/m00../s1.
What are the key properties of bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 1378.25 g/mol, XLogP of 10.51, 13 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 161433540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).