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

C149H150F21N33O18 — CID 157072500

IUPAC6-(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
SMILESCOc1nnc(-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(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F
InChIInChI=1S/C27H30FN7O3.C25H24F5N5O3.C25H26F3N5O3.C24H23F5N6O3.C24H24F4N6O3.C24H23F3N4O3/c1-17-4-5-19(32-26(37)18-12-22(34-31-15-18)27(2,3)16-29)13-20(17)21-14-23(30-6-9-36)33-25(24(21)28)35-7-10-38-11-8-35;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;1-13-2-3-15(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;1-14-2-3-16(31-23(36)15-10-19(24(26,27)28)33-30-13-15)11-17(14)18-12-20(29-4-7-35)32-22(21(18)25)34-5-8-37-9-6-34;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/h4-5,12-15,36H,6-11H2,1-3H3,(H,30,33)(H,32,37);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);2-3,10-12,36H,4-9H2,1H3,(H,30,33)(H,32,37);2-3,10-13,35H,4-9H2,1H3,(H,29,32)(H,31,36);3-6,12-14H,7-11H2,1-2H3
InChIKeyACPANEXLCZPLLP-UHFFFAOYSA-N
MW3090.01 g/mol
LogP22.82
Rot. Bonds43

About 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

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 (PubChem CID 157072500) has the molecular formula C149H150F21N33O18 and a molecular weight of 3090.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157072500
Molecular FormulaC149H150F21N33O18
Molecular Weight3090.01 g/mol
Exact Mass3088.15
IUPAC Name6-(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
SMILESCOc1nnc(-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(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F
InChIInChI=1S/C27H30FN7O3.C25H24F5N5O3.C25H26F3N5O3.C24H23F5N6O3.C24H24F4N6O3.C24H23F3N4O3/c1-17-4-5-19(32-26(37)18-12-22(34-31-15-18)27(2,3)16-29)13-20(17)21-14-23(30-6-9-36)33-25(24(21)28)35-7-10-38-11-8-35;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;1-13-2-3-15(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;1-14-2-3-16(31-23(36)15-10-19(24(26,27)28)33-30-13-15)11-17(14)18-12-20(29-4-7-35)32-22(21(18)25)34-5-8-37-9-6-34;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/h4-5,12-15,36H,6-11H2,1-3H3,(H,30,33)(H,32,37);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);2-3,10-12,36H,4-9H2,1H3,(H,30,33)(H,32,37);2-3,10-13,35H,4-9H2,1H3,(H,29,32)(H,31,36);3-6,12-14H,7-11H2,1-2H3
InChIKeyACPANEXLCZPLLP-UHFFFAOYSA-N
XLogP22.82
TPSA637.95 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds43
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003090.01
LogP ≤ 522.82
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-(2-cyanopropan-2-yl)-N-[3-[5-[(3R)-2-[2-[6-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-[(3R)-3-methyl-2-[2-[4-[(3R)-3-methylmorpholin-4-yl]-6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]oxyethyl]-3-methylmorpholin-4-yl]-6-ethoxypyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425581
6-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[2-[2-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-4-morpholin-4-ylpyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridazine-4-carboxamide
CID 130425658
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-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
2-(1-cyanocyclopropyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridazine-4-carboxamide;2-cyclopropyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157274240
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]pyridine-4-carboxamide;N-ethyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-methyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 157325132
2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157397421
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 157448671
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 157585421
N-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 157610809
(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-fluoro-4-methoxyquinolin-8-yl]benzonitrile;3-[6-[(3S,5R)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 157957835

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1c(F)c(NCCO)nc(N2CCOCC2)c1F.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F.
What is the InChIKey of 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?
The InChIKey is ACPANEXLCZPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O3.C25H24F5N5O3.C25H26F3N5O3.C24H23F5N6O3.C24H24F4N6O3.C24H23F3N4O3/c1-17-4-5-19(32-26(37)18-12-22(34-31-15-18)27(2,3)16-29)13-20(17)21-14-23(30-6-9-36)33-25(24(21)28)35-7-10-38-11-8-35;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;1-13-2-3-15(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;1-14-2-3-16(31-23(36)15-10-19(24(26,27)28)33-30-13-15)11-17(14)18-12-20(29-4-7-35)32-22(21(18)25)34-5-8-37-9-6-34;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/h4-5,12-15,36H,6-11H2,1-3H3,(H,30,33)(H,32,37);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);2-3,10-12,36H,4-9H2,1H3,(H,30,33)(H,32,37);2-3,10-13,35H,4-9H2,1H3,(H,29,32)(H,31,36);3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3090.01 g/mol, XLogP of 22.82, 43 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157072500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).