2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone

C149H149F21N28O19 — CID 159467237

IUPAC2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCOc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(C(=O)Cc3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)CO)c(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O4.C25H24F5N5O3.C25H26F3N5O3.C25H26F2N4O3.C24H23F5N6O3.C24H23F3N4O3/c1-16(15-34)37-25-23(33-6-8-36-9-7-33)11-19(13-31-25)22-12-21(14-30-17(22)2)32-24(35)18-4-3-5-20(10-18)26(27,28)29;1-14-2-3-16(33-24(37)15-4-5-31-18(12-15)25(28,29)30)13-17(14)19-20(26)22(32-6-9-36)34-23(21(19)27)35-7-10-38-11-8-35;1-15-2-3-17(31-25(35)16-4-5-29-20(12-16)23(27)28)13-18(15)19-14-21(33-7-10-36-11-8-33)32-24(22(19)26)30-6-9-34;1-16-4-5-18(22(32)12-17-6-7-28-23(13-17)25(2,26)27)14-19(16)20-15-21(24(33-3)30-29-20)31-8-10-34-11-9-31;1-13-2-3-15(32-23(37)14-10-17(24(27,28)29)34-31-12-14)11-16(13)18-19(25)21(30-4-7-36)33-22(20(18)26)35-5-8-38-9-6-35;1-15-3-4-17(21(32)11-16-5-6-28-22(12-16)24(25,26)27)13-18(15)19-14-20(23(33-2)30-29-19)31-7-9-34-10-8-31/h3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35);2-5,12-13,36H,6-11H2,1H3,(H,32,34)(H,33,37);2-5,12-14,23,34H,6-11H2,1H3,(H,30,32)(H,31,35);4-7,13-15H,8-12H2,1-3H3;2-3,10-12,36H,4-9H2,1H3,(H,30,33)(H,32,37);3-6,12-14H,7-11H2,1-2H3/t16-;;;;;/m1...../s1
InChIKeyLVIOOUNOIFIFQK-NSQCPRBHSA-N
MW3034.97 g/mol
LogP24.59
Rot. Bonds42

About 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone

2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone (PubChem CID 159467237) has the molecular formula C149H149F21N28O19 and a molecular weight of 3034.97 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
PubChem CID159467237
Molecular FormulaC149H149F21N28O19
Molecular Weight3034.97 g/mol
Exact Mass3033.12
IUPAC Name2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCOc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(C(=O)Cc3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)CO)c(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O4.C25H24F5N5O3.C25H26F3N5O3.C25H26F2N4O3.C24H23F5N6O3.C24H23F3N4O3/c1-16(15-34)37-25-23(33-6-8-36-9-7-33)11-19(13-31-25)22-12-21(14-30-17(22)2)32-24(35)18-4-3-5-20(10-18)26(27,28)29;1-14-2-3-16(33-24(37)15-4-5-31-18(12-15)25(28,29)30)13-17(14)19-20(26)22(32-6-9-36)34-23(21(19)27)35-7-10-38-11-8-35;1-15-2-3-17(31-25(35)16-4-5-29-20(12-16)23(27)28)13-18(15)19-14-21(33-7-10-36-11-8-33)32-24(22(19)26)30-6-9-34;1-16-4-5-18(22(32)12-17-6-7-28-23(13-17)25(2,26)27)14-19(16)20-15-21(24(33-3)30-29-20)31-8-10-34-11-9-31;1-13-2-3-15(32-23(37)14-10-17(24(27,28)29)34-31-12-14)11-16(13)18-19(25)21(30-4-7-36)33-22(20(18)26)35-5-8-38-9-6-35;1-15-3-4-17(21(32)11-16-5-6-28-22(12-16)24(25,26)27)13-18(15)19-14-20(23(33-2)30-29-19)31-7-9-34-10-8-31/h3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35);2-5,12-13,36H,6-11H2,1H3,(H,32,34)(H,33,37);2-5,12-14,23,34H,6-11H2,1H3,(H,30,32)(H,31,35);4-7,13-15H,8-12H2,1-3H3;2-3,10-12,36H,4-9H2,1H3,(H,30,33)(H,32,37);3-6,12-14H,7-11H2,1-2H3/t16-;;;;;/m1...../s1
InChIKeyLVIOOUNOIFIFQK-NSQCPRBHSA-N
XLogP24.59
TPSA563.41 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds42
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003034.97
LogP ≤ 524.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

[5-Methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123175965
2-fluoro-N-[1-[2-[4-fluoro-5-[[5-[5-(hydroxymethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]carbamoyl]-2-(trifluoromethyl)phenyl]pyrimidin-5-yl]-2-phenyl-5-pyridin-2-yloxypyridin-1-ium-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 123927950
N-[3-[6-[2-[4-[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(2-hydroxyethoxy)pyridazin-4-yl]morpholin-2-yl]oxyethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 130425563
N-[3-[6-ethoxy-5-[2-[2-[6-[5-[[2-(2-hydroxypropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-4-morpholin-4-ylpyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130425574
6-(2-cyanopropan-2-yl)-N-[3-[4-[[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-3-[4-[[4-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-4-methyl-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
CID 130425662
N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130425793
N-[5-[6-(2,2-difluoroethoxy)-5-[2-[[5-[3-methyl-6-[[3-(trifluoromethyl)benzoyl]amino]pyridazin-4-yl]-3-morpholin-4-ylpyridin-2-yl]oxymethyl]morpholin-4-yl]pyridin-3-yl]-6-methylpyridin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 130425809
N-[3-[6-[2-[4-[6-[5-[[3-(difluoromethyl)benzoyl]amino]-2-methylphenyl]-3-ethoxypyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
CID 130425815
6-(2-cyanopropan-2-yl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 157072500
N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-(2-hydroxyethyl)-2-methyl-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one;methane;8-(2-methoxy-4-pyridinyl)-3-[(1S)-1-[(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157126534
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157194733
CID 157233668
CID 157233668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The IUPAC name of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone (CID 159467237) is 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone is COc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.COc1nnc(-c2cc(C(=O)Cc3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)CO)c(N2CCOCC2)c1.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
The InChIKey is LVIOOUNOIFIFQK-NSQCPRBHSA-N. The full InChI is InChI=1S/C26H27F3N4O4.C25H24F5N5O3.C25H26F3N5O3.C25H26F2N4O3.C24H23F5N6O3.C24H23F3N4O3/c1-16(15-34)37-25-23(33-6-8-36-9-7-33)11-19(13-31-25)22-12-21(14-30-17(22)2)32-24(35)18-4-3-5-20(10-18)26(27,28)29;1-14-2-3-16(33-24(37)15-4-5-31-18(12-15)25(28,29)30)13-17(14)19-20(26)22(32-6-9-36)34-23(21(19)27)35-7-10-38-11-8-35;1-15-2-3-17(31-25(35)16-4-5-29-20(12-16)23(27)28)13-18(15)19-14-21(33-7-10-36-11-8-33)32-24(22(19)26)30-6-9-34;1-16-4-5-18(22(32)12-17-6-7-28-23(13-17)25(2,26)27)14-19(16)20-15-21(24(33-3)30-29-20)31-8-10-34-11-9-31;1-13-2-3-15(32-23(37)14-10-17(24(27,28)29)34-31-12-14)11-16(13)18-19(25)21(30-4-7-36)33-22(20(18)26)35-5-8-38-9-6-35;1-15-3-4-17(21(32)11-16-5-6-28-22(12-16)24(25,26)27)13-18(15)19-14-20(23(33-2)30-29-19)31-7-9-34-10-8-31/h3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35);2-5,12-13,36H,6-11H2,1H3,(H,32,34)(H,33,37);2-5,12-14,23,34H,6-11H2,1H3,(H,30,32)(H,31,35);4-7,13-15H,8-12H2,1-3H3;2-3,10-12,36H,4-9H2,1H3,(H,30,33)(H,32,37);3-6,12-14H,7-11H2,1-2H3/t16-;;;;;/m1...../s1.
What are the key properties of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone?
2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone has a molecular weight of 3034.97 g/mol, XLogP of 24.59, 42 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 159467237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).