About (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid
(6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 158202764) has the molecular formula C106H95F16N33O20
and a molecular weight of 2455.10 g/mol. Its IUPAC name is (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid (CID 158202764) is (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid is CC(=O)c1nnn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2.CCOC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2.COC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C)C2.C[C@H]1Cn2cnc(C(=O)O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)O)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.O=C(O)c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.O=C(O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.
What is the InChIKey of (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is GBDFJVAFQRFHPE-FWIYFDMOSA-N. The full InChI is InChI=1S/C16H15F3N4O3.C16H17F2N5O3.C16H15FN6O2.C16H14FN5O3.C15H13F3N4O3.C14H11F3N4O3.C13H10F3N5O3/c1-8-5-22-7-20-14(15(24)26-2)12(22)6-23(8)16(25)21-9-3-10(17)13(19)11(18)4-9;1-2-26-15(24)13-12-8-22(5-6-23(12)9-20-13)16(25)21-10-3-4-19-11(7-10)14(17)18;1-9-7-23-14(15(10(2)24)20-21-23)8-22(9)16(25)19-12-3-4-13(17)11(5-12)6-18;1-9-6-21-8-19-14(15(23)24)13(21)7-22(9)16(25)20-11-2-3-12(17)10(4-11)5-18;1-7-4-21-6-19-13(14(23)24)11(21)5-22(7)15(25)20-8-2-9(16)12(18)10(17)3-8;15-9-3-7(4-10(16)12(9)17)19-14(24)20-1-2-21-11(6-20)8(5-18-21)13(22)23;14-7-3-6(4-8(15)10(7)16)17-13(24)20-1-2-21-9(5-20)11(12(22)23)18-19-21/h3-4,7-8H,5-6H2,1-2H3,(H,21,25);3-4,7,9,14H,2,5-6,8H2,1H3,(H,19,21,25);3-5,9H,7-8H2,1-2H3,(H,19,25);2-4,8-9H,6-7H2,1H3,(H,20,25)(H,23,24);2-3,6-7H,4-5H2,1H3,(H,20,25)(H,23,24);3-5H,1-2,6H2,(H,19,24)(H,22,23);3-4H,1-2,5H2,(H,17,24)(H,22,23)/t8-;;2*9-;7-;;/m0.000../s1.
What are the key properties of (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
(6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 2455.10 g/mol, XLogP of 14.84, 16 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-acetyl-N-(3-cyano-4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[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;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 158202764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).