About N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 158094935) has the molecular formula C137H120Cl3F15N26O23
and a molecular weight of 2889.95 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 158094935) is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is C#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)[nH]1.CN(C)C(=O)c1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.Cn1c(C#N)ccc1-c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](O)C1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2N2C[C@H](O)[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)[nH]1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(-c2ccc[nH]2)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is FOOBVUQVVJLRGY-BABPGUDQSA-N. The full InChI is InChI=1S/C24H24ClF2N5O4.C23H20ClF2N5O3.C23H19ClF2N4O4.C23H19F3N4O4.C22H18F3N5O4.C22H20F3N3O4/c1-31(2)23(35)20-8-7-19(30-20)18-11-14(12-28-21(18)32-10-9-16(33)13-32)22(34)29-15-3-5-17(6-4-15)36-24(25,26)27;1-30-16(11-27)4-7-20(30)19-10-14(12-28-21(19)31-9-8-17(32)13-31)22(33)29-15-2-5-18(6-3-15)34-23(24,25)26;1-2-14-5-8-18(28-14)17-9-13(10-27-21(17)30-11-19(31)20(32)12-30)22(33)29-15-3-6-16(7-4-15)34-23(24,25)26;24-23(25,26)34-16-5-2-14(3-6-16)29-22(33)13-1-8-19(30-11-20(31)21(32)12-30)17(9-13)18-7-4-15(10-27)28-18;23-22(24,25)34-15-4-1-13(2-5-15)29-21(33)12-7-16(17-6-3-14(8-26)28-17)20(27-9-12)30-10-18(31)19(32)11-30;23-22(24,25)32-15-6-4-14(5-7-15)27-21(31)13-3-8-18(28-11-19(29)20(30)12-28)16(10-13)17-2-1-9-26-17/h3-8,11-12,16,30,33H,9-10,13H2,1-2H3,(H,29,34);2-7,10,12,17,32H,8-9,13H2,1H3,(H,29,33);1,3-10,19-20,28,31-32H,11-12H2,(H,29,33);1-9,20-21,28,31-32H,11-12H2,(H,29,33);1-7,9,18-19,28,31-32H,10-11H2,(H,29,33);1-10,19-20,26,29-30H,11-12H2,(H,27,31)/t16-;17-;19-,20-;20-,21-;18-,19-;19-,20-/m110000/s1.
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 2889.95 g/mol, XLogP of 20.00, 34 rotatable bonds, 21 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1-methylpyrrol-2-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;3-(5-cyano-1H-pyrrol-2-yl)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 158094935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).