About (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride
(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride (PubChem CID 159409221) has the molecular formula C63H56BrClF4N12O7
and a molecular weight of 1284.57 g/mol. Its IUPAC name is (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride.
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Frequently Asked Questions
What is the IUPAC name of (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride (CID 159409221) is (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride is COC(=O)c1ccncc1Br.Cl.N#C[C@@H]1CC(F)(F)CN1C(=O)CCC(=O)c1ccncc1Cc1ccnc2ccccc12.N#C[C@@H]1CC(F)(F)CN1C(=O)CN.Nc1ccnc2ccccc12.O=C(O)c1ccncc1Cc1ccnc2ccccc12.
What is the InChIKey of (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride?
The InChIKey is MMGHLKPKNHGNAH-CKWMYCHMSA-N. The full InChI is InChI=1S/C24H20F2N4O2.C16H12N2O2.C9H8N2.C7H6BrNO2.C7H9F2N3O.ClH/c25-24(26)12-18(13-27)30(15-24)23(32)6-5-22(31)20-8-9-28-14-17(20)11-16-7-10-29-21-4-2-1-3-19(16)21;19-16(20)14-6-7-17-10-12(14)9-11-5-8-18-15-4-2-1-3-13(11)15;10-8-5-6-11-9-4-2-1-3-7(8)9;1-11-7(10)5-2-3-9-4-6(5)8;8-7(9)1-5(2-10)12(4-7)6(13)3-11;/h1-4,7-10,14,18H,5-6,11-12,15H2;1-8,10H,9H2,(H,19,20);1-6H,(H2,10,11);2-4H,1H3;5H,1,3-4,11H2;1H/t18-;;;;5-;/m0...0./s1.
What are the key properties of (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride?
(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 1284.57 g/mol, XLogP of 10.44, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 159409221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).