About 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid
5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid (PubChem CID 158159255) has the molecular formula C131H116Cl7F2N25O21
and a molecular weight of 2662.69 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid (CID 158159255) is 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid is COC[C@H](NC(=O)c1cc2cc(Cl)ncc2[nH]1)[C@@H](O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)c1ccccc1)c1cc2cc(Cl)ncc2[nH]1.O=C(NCC(O)c1cccnc1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](CO)C(=O)c1ccccc1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](O)[C@H](O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@H](O)[C@@H](O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
The InChIKey is FWBKZCGSENJKND-SCBFEBAGSA-N. The full InChI is InChI=1S/C23H18ClN3O2.2C21H20ClFN4O4.C18H18ClN3O3.C17H14ClN3O3.C16H13ClN4O3.C15H13ClN4O2/c24-21-13-17-12-19(26-20(17)14-25-21)23(29)27-18(11-15-7-3-1-4-8-15)22(28)16-9-5-2-6-10-16;2*22-19-7-12-6-14(25-16(12)8-24-19)20(30)26-15(5-11-1-3-13(23)4-2-11)21(31)27-9-17(28)18(29)10-27;1-25-10-15(17(23)11-5-3-2-4-6-11)22-18(24)13-7-12-8-16(19)20-9-14(12)21-13;18-15-7-11-6-12(20-13(11)8-19-15)17(24)21-14(9-22)16(23)10-4-2-1-3-5-10;17-14-7-10-6-11(20-13(10)8-19-14)15(22)21-12(16(23)24)5-9-1-3-18-4-2-9;16-14-5-10-4-11(20-12(10)7-18-14)15(22)19-8-13(21)9-2-1-3-17-6-9/h1-10,12-14,18,26H,11H2,(H,27,29);2*1-4,6-8,15,17-18,25,28-29H,5,9-10H2,(H,26,30);2-9,15,17,21,23H,10H2,1H3,(H,22,24);1-8,14,20,22H,9H2,(H,21,24);1-4,6-8,12,20H,5H2,(H,21,22)(H,23,24);1-7,13,20-21H,8H2,(H,19,22)/t;15-,17+,18+;15-,17-,18-;15-,17-;14-;12-;/m.00000./s1.
What are the key properties of 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid has a molecular weight of 2662.69 g/mol, XLogP of 15.96, 36 rotatable bonds, 22 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(1-oxo-1,3-diphenylpropan-2-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 158159255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).