About acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide
acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide (PubChem CID 158221212) has the molecular formula C181H186B4Br2ClF6N23O29
and a molecular weight of 3500.11 g/mol. Its IUPAC name is acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide.
Frequently Asked Questions
What is the IUPAC name of acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide?
The IUPAC name of acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide (CID 158221212) is acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide.
What is the SMILES notation for acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide?
The canonical SMILES for acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide is Br.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cccc(OC)c3F)cc2)c2cnccn12.CC#CC(=O)O.CC#N.CC1(C)OB(c2ccc(C(=O)Cl)cc2)OC1(C)C.CC1(C)OB(c2ccc(C(=O)O)cc2)OC1(C)C.COc1cccc(N)c1F.COc1cccc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4)n4ccncc34)cc2)c1F.COc1cccc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)OCc4ccccc4)n4ccncc34)cc2)c1F.COc1cccc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1F.COc1cccc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1F.O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(Br)c2cnccn12.
What is the InChIKey of acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide?
The InChIKey is DKMVIMUCCZBNAA-NXGRVHQQSA-N. The full InChI is InChI=1S/C32H28FN5O4.C28H24FN5O3.C24H22FN5O2.2C20H23BFNO4.C18H17BrN4O2.C13H16BClO3.C13H17BO4.C7H8FNO.C4H4O2.C2H3N.BrH/c1-41-27-11-5-9-24(28(27)33)35-31(39)23-14-12-22(13-15-23)29-26-19-34-16-18-37(26)30(36-29)25-10-6-17-38(25)32(40)42-20-21-7-3-2-4-8-21;1-3-6-24(35)33-15-5-8-21(33)27-32-26(22-17-30-14-16-34(22)27)18-10-12-19(13-11-18)28(36)31-20-7-4-9-23(37-2)25(20)29;1-32-20-6-2-4-17(21(20)25)28-24(31)16-9-7-15(8-10-16)22-19-14-26-12-13-30(19)23(29-22)18-5-3-11-27-18;2*1-19(2)20(3,4)27-21(26-19)14-11-9-13(10-12-14)18(24)23-15-7-6-8-16(25-5)17(15)22;19-16-15-11-20-8-10-22(15)17(21-16)14-7-4-9-23(14)18(24)25-12-13-5-2-1-3-6-13;2*1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16;1-10-6-4-2-3-5(9)7(6)8;1-2-3-4(5)6;1-2-3;/h2-5,7-9,11-16,18-19,25H,6,10,17,20H2,1H3,(H,35,39);4,7,9-14,16-17,21H,5,8,15H2,1-2H3,(H,31,36);2,4,6-10,12-14,18,27H,3,5,11H2,1H3,(H,28,31);2*6-12H,1-5H3,(H,23,24);1-3,5-6,8,10-11,14H,4,7,9,12H2;5-8H,1-4H3;5-8H,1-4H3,(H,15,16);2-4H,9H2,1H3;1H3,(H,5,6);1H3;1H/t25-;21-;18-;;;14-;;;;;;/m000..0....../s1.
What are the key properties of acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide?
acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide has a molecular weight of 3500.11 g/mol, XLogP of 32.38, 33 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;benzyl (2S)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluoro-3-methoxyphenyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;but-2-ynoic acid;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide;2-fluoro-3-methoxyaniline;N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;bis(N-(2-fluoro-3-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;hydrobromide is sourced from PubChem (CID 158221212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).