N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide

C122H134F14N36O12 — CID 158641643

IUPACN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1c(F)cncc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)cnc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ncccc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C23H27F2N5O2.C20H20F4N6O2.C20H21F3N6O2.C20H23F2N7O2.C20H22F2N6O2.C19H21FN6O2/c1-6-30(16(3)14-32-20-8-7-17(13-26-20)23(4,24)25)22(31)18-11-15(2)12-27-21(18)19-9-10-29(5)28-19;1-4-29(12(2)11-32-18-16(22)7-13(9-26-18)20(3,23)24)19(31)15-8-14(21)10-25-17(15)30-27-5-6-28-30;1-4-28(13(2)12-31-17-6-5-14(9-25-17)20(3,22)23)19(30)18-15(21)10-24-11-16(18)29-26-7-8-27-29;1-5-28(14(3)12-31-19-23-10-15(11-24-19)20(4,21)22)18(30)17-16(7-6-13(2)27-17)29-25-8-9-26-29;1-4-27(14(2)13-30-17-8-7-15(12-24-17)20(3,21)22)19(29)18-16(6-5-9-23-18)28-25-10-11-26-28;1-4-25(14(3)12-28-17-6-5-13(2)10-21-17)19(27)16-9-15(20)11-22-18(16)26-23-7-8-24-26/h7-13,16H,6,14H2,1-5H3;5-10,12H,4,11H2,1-3H3;5-11,13H,4,12H2,1-3H3;6-11,14H,5,12H2,1-4H3;5-12,14H,4,13H2,1-3H3;5-11,14H,4,12H2,1-3H3/t16-;12-;13-;3*14-/m000000/s1
InChIKeyIALOHXIYXWFIRL-ZOQVEXNBSA-N
MW2562.63 g/mol
LogP19.18
Rot. Bonds47

About N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide

N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide (PubChem CID 158641643) has the molecular formula C122H134F14N36O12 and a molecular weight of 2562.63 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
PubChem CID158641643
Molecular FormulaC122H134F14N36O12
Molecular Weight2562.63 g/mol
Exact Mass2561.08
IUPAC NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1c(F)cncc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)cnc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ncccc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C23H27F2N5O2.C20H20F4N6O2.C20H21F3N6O2.C20H23F2N7O2.C20H22F2N6O2.C19H21FN6O2/c1-6-30(16(3)14-32-20-8-7-17(13-26-20)23(4,24)25)22(31)18-11-15(2)12-27-21(18)19-9-10-29(5)28-19;1-4-29(12(2)11-32-18-16(22)7-13(9-26-18)20(3,23)24)19(31)15-8-14(21)10-25-17(15)30-27-5-6-28-30;1-4-28(13(2)12-31-17-6-5-14(9-25-17)20(3,22)23)19(30)18-15(21)10-24-11-16(18)29-26-7-8-27-29;1-5-28(14(3)12-31-19-23-10-15(11-24-19)20(4,21)22)18(30)17-16(7-6-13(2)27-17)29-25-8-9-26-29;1-4-27(14(2)13-30-17-8-7-15(12-24-17)20(3,21)22)19(29)18-16(6-5-9-23-18)28-25-10-11-26-28;1-4-25(14(3)12-28-17-6-5-13(2)10-21-17)19(27)16-9-15(20)11-22-18(16)26-23-7-8-24-26/h7-13,16H,6,14H2,1-5H3;5-10,12H,4,11H2,1-3H3;5-11,13H,4,12H2,1-3H3;6-11,14H,5,12H2,1-4H3;5-12,14H,4,13H2,1-3H3;5-11,14H,4,12H2,1-3H3/t16-;12-;13-;3*14-/m000000/s1
InChIKeyIALOHXIYXWFIRL-ZOQVEXNBSA-N
XLogP19.18
TPSA516.18 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds47
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002562.63
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740953
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-[1-[3-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-oxo-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-6-yl]propyl]pyrazol-4-yl]-1,6-naphthyridin-5-one
CID 129157542
[(3R)-3-[[5-[4-[(3R)-3-[[3-[3-[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carbonyl]-1-methylpyrazol-4-yl]-4-pyridinyl]methyl]-5,5-difluoro-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carbonyl]-2-methyl-1,3-oxazol-5-yl]-3-pyridinyl]methyl]-5,5-difluoro-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone
CID 130342076
[2-[2-[6-[3-[2-fluoro-5-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidine-1-carbonyl]-4-(triazol-2-yl)phenyl]pyrazol-1-yl]-5-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidine-1-carbonyl]-2-pyridinyl]ethoxy]-3-pyridinyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]methanone
CID 145069893
N-[3-(difluoromethyl)-1-[4-[[[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599496
N-ethyl-6-[2-[3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-5-fluoro-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-2-carboxamide
CID 155048123
5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide
CID 155048125
N-ethyl-2-[1-[4-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-5-fluoro-3-pyridinyl]pyrazol-3-yl]-5-pyrazol-1-yl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-4-carboxamide
CID 155048130
N-ethyl-5-[2-[3-[ethyl-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide
CID 155048132
(3R,13R)-8-fluoro-13-[[(3S,14R)-8-fluoro-3-(fluoromethyl)-14-methyl-16-oxo-12-oxa-4,10,15,19,20,22-hexazapentacyclo[18.3.1.04,23.06,11.017,21]tetracosa-1(24),6(11),7,9,17(21),18,22-heptaen-24-yl]methyl]-25-[[(3R,13S)-8-fluoro-3-methyl-16-oxo-12-oxa-4,10,15,19,20,22-hexazapentacyclo[18.3.1.04,23.06,11.017,21]tetracosa-1(24),6(11),7,9,17(21),18,22-heptaen-13-yl]methyl]-3-methyl-12-oxa-4,10,16,20,21,23-hexazapentacyclo[19.3.1.04,24.06,11.018,22]pentacosa-1(25),6(11),7,9,18(22),19,23-heptaen-17-one
CID 156082104
N-[3-(difluoromethyl)-1-[4-[[2-[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156904495
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide
CID 157065681

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide (CID 158641643) is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide is CCN(C(=O)c1c(F)cncc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)cnc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ncccc1-n1nccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.
What is the InChIKey of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?
The InChIKey is IALOHXIYXWFIRL-ZOQVEXNBSA-N. The full InChI is InChI=1S/C23H27F2N5O2.C20H20F4N6O2.C20H21F3N6O2.C20H23F2N7O2.C20H22F2N6O2.C19H21FN6O2/c1-6-30(16(3)14-32-20-8-7-17(13-26-20)23(4,24)25)22(31)18-11-15(2)12-27-21(18)19-9-10-29(5)28-19;1-4-29(12(2)11-32-18-16(22)7-13(9-26-18)20(3,23)24)19(31)15-8-14(21)10-25-17(15)30-27-5-6-28-30;1-4-28(13(2)12-31-17-6-5-14(9-25-17)20(3,22)23)19(30)18-15(21)10-24-11-16(18)29-26-7-8-27-29;1-5-28(14(3)12-31-19-23-10-15(11-24-19)20(4,21)22)18(30)17-16(7-6-13(2)27-17)29-25-8-9-26-29;1-4-27(14(2)13-30-17-8-7-15(12-24-17)20(3,21)22)19(29)18-16(6-5-9-23-18)28-25-10-11-26-28;1-4-25(14(3)12-28-17-6-5-13(2)10-21-17)19(27)16-9-15(20)11-22-18(16)26-23-7-8-24-26/h7-13,16H,6,14H2,1-5H3;5-10,12H,4,11H2,1-3H3;5-11,13H,4,12H2,1-3H3;6-11,14H,5,12H2,1-4H3;5-12,14H,4,13H2,1-3H3;5-11,14H,4,12H2,1-3H3/t16-;12-;13-;3*14-/m000000/s1.
What are the key properties of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide has a molecular weight of 2562.63 g/mol, XLogP of 19.18, 47 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158641643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).