About N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide
N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide (PubChem CID 160815978) has the molecular formula C166H195F11N38O17S
and a molecular weight of 3235.68 g/mol. Its IUPAC name is N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide (CID 160815978) is N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide is CCN1C[C@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H](c2cccc(F)c2F)C1.COCCN1CC(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CCC(c2ccccc2)C1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)N2CCOCC2)C1)N1CCC2(CC1)C(=O)Nc1ncccc12.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(S(=O)(=O)c2cccnc2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(c2ncccn2)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC(F)(F)F)C1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide?
The InChIKey is SEXFTOQJBDCSKG-GLYRJOPOSA-N. The full InChI is InChI=1S/C29H31F2N7O4S.C29H34F2N6O4.C28H30F2N8O2.C28H37N5O3.C26H31F3N6O2.C26H32F2N6O2/c30-24-6-1-5-23(26(24)31)19-8-9-20(18-37(17-19)43(41,42)22-4-2-12-32-16-22)34-28(39)36-14-10-21(11-15-36)38-25-7-3-13-33-27(25)35-29(38)40;30-23-5-1-3-21(24(23)31)19-6-7-20(18-37(17-19)28(40)36-13-15-41-16-14-36)33-27(39)35-11-8-29(9-12-35)22-4-2-10-32-25(22)34-26(29)38;29-22-5-1-4-21(24(22)30)18-7-8-19(17-37(16-18)26-32-12-3-13-33-26)34-27(39)36-14-9-20(10-15-36)38-23-6-2-11-31-25(23)35-28(38)40;1-36-17-16-31-19-21(9-10-23(20-31)22-6-3-2-4-7-22)18-26(34)32-14-11-24(12-15-32)33-25-8-5-13-29-27(25)30-28(33)35;27-26(28,29)17-33-15-19(18-5-2-1-3-6-18)8-9-20(16-33)31-24(36)34-13-10-21(11-14-34)35-22-7-4-12-30-23(22)32-25(35)37;1-2-32-15-17(20-5-3-6-21(27)23(20)28)8-9-18(16-32)30-25(35)33-13-10-19(11-14-33)34-22-7-4-12-29-24(22)31-26(34)36/h1-7,12-13,16,19-21H,8-11,14-15,17-18H2,(H,34,39)(H,33,35,40);1-5,10,19-20H,6-9,11-18H2,(H,33,39)(H,32,34,38);1-6,11-13,18-20H,7-10,14-17H2,(H,34,39)(H,31,35,40);2-8,13,21,23-24H,9-12,14-20H2,1H3,(H,29,30,35);1-7,12,19-21H,8-11,13-17H2,(H,31,36)(H,30,32,37);3-7,12,17-19H,2,8-11,13-16H2,1H3,(H,30,35)(H,29,31,36)/t2*19-,20-;18-,19-;;19-,20-;17-,18+/m111.10/s1.
What are the key properties of N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide?
N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide has a molecular weight of 3235.68 g/mol, XLogP of 20.95, 26 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6R)-6-(2,3-difluorophenyl)-1-ethylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(morpholine-4-carbonyl)azepan-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyridin-3-ylsulfonylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-pyrimidin-2-ylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-[1-[2-[1-(2-methoxyethyl)-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 160815978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).