2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C155H170F14N30O20 — CID 158572330

IUPAC2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC[C@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)CO)c(N2CCOCC2)c1
InChIInChI=1S/C27H33FN6O3.2C26H27F3N4O4.C26H30F2N6O3.C25H27F3N6O3.C25H26F2N4O3/c1-17-5-6-20(31-25(36)19-7-8-29-23(13-19)27(3,4)28)14-21(17)22-15-24(30-16-18(2)35)33-26(32-22)34-9-11-37-12-10-34;1-16(34)15-37-25-23(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;1-16(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;1-16-4-5-19(31-24(36)18-6-7-29-22(12-18)26(3,27)28)13-20(16)21-14-23(30-15-17(2)35)33-25(32-21)34-8-10-37-11-9-34;1-15-3-4-18(31-23(36)17-5-6-29-21(11-17)25(26,27)28)12-19(15)20-13-22(30-14-16(2)35)33-24(32-20)34-7-9-37-10-8-34;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/h5-8,13-15,18,35H,9-12,16H2,1-4H3,(H,31,36)(H,30,32,33);2*3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35);4-7,12-14,17,35H,8-11,15H2,1-3H3,(H,31,36)(H,30,32,33);3-6,11-13,16,35H,7-10,14H2,1-2H3,(H,31,36)(H,30,32,33);4-7,13-15H,8-12H2,1-3H3/t18-;2*16-;17-;16-;/m10111./s1
InChIKeyHSFSVBNSHJCQIN-CHAGJWLHSA-N
MW3039.23 g/mol
LogP24.39
Rot. Bonds44

About 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158572330) has the molecular formula C155H170F14N30O20 and a molecular weight of 3039.23 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID158572330
Molecular FormulaC155H170F14N30O20
Molecular Weight3039.23 g/mol
Exact Mass3037.30
IUPAC Name2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC[C@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H](C)CO)c(N2CCOCC2)c1
InChIInChI=1S/C27H33FN6O3.2C26H27F3N4O4.C26H30F2N6O3.C25H27F3N6O3.C25H26F2N4O3/c1-17-5-6-20(31-25(36)19-7-8-29-23(13-19)27(3,4)28)14-21(17)22-15-24(30-16-18(2)35)33-26(32-22)34-9-11-37-12-10-34;1-16(34)15-37-25-23(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;1-16(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;1-16-4-5-19(31-24(36)18-6-7-29-22(12-18)26(3,27)28)13-20(16)21-14-23(30-15-17(2)35)33-25(32-21)34-8-10-37-11-9-34;1-15-3-4-18(31-23(36)17-5-6-29-21(11-17)25(26,27)28)12-19(15)20-13-22(30-14-16(2)35)33-24(32-20)34-7-9-37-10-8-34;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/h5-8,13-15,18,35H,9-12,16H2,1-4H3,(H,31,36)(H,30,32,33);2*3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35);4-7,12-14,17,35H,8-11,15H2,1-3H3,(H,31,36)(H,30,32,33);3-6,11-13,16,35H,7-10,14H2,1-2H3,(H,31,36)(H,30,32,33);4-7,13-15H,8-12H2,1-3H3/t18-;2*16-;17-;16-;/m10111./s1
InChIKeyHSFSVBNSHJCQIN-CHAGJWLHSA-N
XLogP24.39
TPSA608.56 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds44
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003039.23
LogP ≤ 524.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Analyze 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(6-but-3-ynoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135390019
2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 161133218
6-(2-cyanopropan-2-yl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 160879514
N-[5-[6-(1,1-dihydroxythian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 118870900
2-(2-cyanopropan-2-yl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 158303011
2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158095080
N-[3-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 138714306
N-[5-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90407965
N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425796
N-[5-[6-[4-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]phenoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 146502149
N-[5-[6-(4-deuterio-3-fluorooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90464871
ethane;N-[3-(6-hex-5-ynoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 142464641

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158572330) is 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC[C@H](C)O)c(N2CCOCC2)c1.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-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is HSFSVBNSHJCQIN-CHAGJWLHSA-N. The full InChI is InChI=1S/C27H33FN6O3.2C26H27F3N4O4.C26H30F2N6O3.C25H27F3N6O3.C25H26F2N4O3/c1-17-5-6-20(31-25(36)19-7-8-29-23(13-19)27(3,4)28)14-21(17)22-15-24(30-16-18(2)35)33-26(32-22)34-9-11-37-12-10-34;1-16(34)15-37-25-23(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;1-16(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;1-16-4-5-19(31-24(36)18-6-7-29-22(12-18)26(3,27)28)13-20(16)21-14-23(30-15-17(2)35)33-25(32-21)34-8-10-37-11-9-34;1-15-3-4-18(31-23(36)17-5-6-29-21(11-17)25(26,27)28)12-19(15)20-13-22(30-14-16(2)35)33-24(32-20)34-7-9-37-10-8-34;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/h5-8,13-15,18,35H,9-12,16H2,1-4H3,(H,31,36)(H,30,32,33);2*3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35);4-7,12-14,17,35H,8-11,15H2,1-3H3,(H,31,36)(H,30,32,33);3-6,11-13,16,35H,7-10,14H2,1-2H3,(H,31,36)(H,30,32,33);4-7,13-15H,8-12H2,1-3H3/t18-;2*16-;17-;16-;/m10111./s1.
What are the key properties of 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 3039.23 g/mol, XLogP of 24.39, 44 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-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;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158572330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).