2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C156H177F9N42O18 — CID 158566251

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NC[C@@H](C)O)n1
InChIInChI=1S/C28H33N7O3.2C27H32N8O3.2C25H27F3N6O3.C24H26F3N7O3/c1-18-5-6-21(32-26(37)20-7-8-30-24(13-20)28(3,4)17-29)14-22(18)23-15-25(35-9-11-38-12-10-35)34-27(33-23)31-19(2)16-36;2*1-17(15-36)31-26-33-22(13-24(34-26)35-7-9-38-10-8-35)21-12-20(14-30-18(21)2)32-25(37)19-5-6-29-23(11-19)27(3,4)16-28;2*1-15(14-35)30-24-32-21(12-22(33-24)34-6-8-37-9-7-34)20-11-19(13-29-16(20)2)31-23(36)17-4-3-5-18(10-17)25(26,27)28;1-14(35)12-30-23-32-19(11-21(33-23)34-5-7-37-8-6-34)18-10-17(13-29-15(18)2)31-22(36)16-3-4-28-20(9-16)24(25,26)27/h5-8,13-15,19,36H,9-12,16H2,1-4H3,(H,32,37)(H,31,33,34);2*5-6,11-14,17,36H,7-10,15H2,1-4H3,(H,32,37)(H,31,33,34);2*3-5,10-13,15,35H,6-9,14H2,1-2H3,(H,31,36)(H,30,32,33);3-4,9-11,13-14,35H,5-8,12H2,1-2H3,(H,31,36)(H,30,32,33)/t19-;2*17-;2*15-;14-/m010101/s1
InChIKeyHRMYUEJGQYAUOX-TZTMORPJSA-N
MW3099.39 g/mol
LogP20.02
Rot. Bonds45

About 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158566251) has the molecular formula C156H177F9N42O18 and a molecular weight of 3099.39 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID158566251
Molecular FormulaC156H177F9N42O18
Molecular Weight3099.39 g/mol
Exact Mass3097.41
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NC[C@@H](C)O)n1
InChIInChI=1S/C28H33N7O3.2C27H32N8O3.2C25H27F3N6O3.C24H26F3N7O3/c1-18-5-6-21(32-26(37)20-7-8-30-24(13-20)28(3,4)17-29)14-22(18)23-15-25(35-9-11-38-12-10-35)34-27(33-23)31-19(2)16-36;2*1-17(15-36)31-26-33-22(13-24(34-26)35-7-9-38-10-8-35)21-12-20(14-30-18(21)2)32-25(37)19-5-6-29-23(11-19)27(3,4)16-28;2*1-15(14-35)30-24-32-21(12-22(33-24)34-6-8-37-9-7-34)20-11-19(13-29-16(20)2)31-23(36)17-4-3-5-18(10-17)25(26,27)28;1-14(35)12-30-23-32-19(11-21(33-23)34-5-7-37-8-6-34)18-10-17(13-29-15(18)2)31-22(36)16-3-4-28-20(9-16)24(25,26)27/h5-8,13-15,19,36H,9-12,16H2,1-4H3,(H,32,37)(H,31,33,34);2*5-6,11-14,17,36H,7-10,15H2,1-4H3,(H,32,37)(H,31,33,34);2*3-5,10-13,15,35H,6-9,14H2,1-2H3,(H,31,36)(H,30,32,33);3-4,9-11,13-14,35H,5-8,12H2,1-2H3,(H,31,36)(H,30,32,33)/t19-;2*17-;2*15-;14-/m010101/s1
InChIKeyHRMYUEJGQYAUOX-TZTMORPJSA-N
XLogP20.02
TPSA785.04 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds45
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003099.39
LogP ≤ 520.02
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 86295249
N-[5-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456389
N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90461316
N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609676
(E)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-(2-(5-(2-methyl-6-(piperazin-1-yl)pyrimidin-4-ylamino)pyrazin-2-yl)vinyl)benzamide
CID 24816492
US8653087, III-340
CID 68036103
US8653087, III-383
CID 68036157
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 89972867
3-(2-cyanopropan-2-yl)-5-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]benzamide
CID 89972879
N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90460380
2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 117610055
2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 117610110

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158566251) is 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NC[C@@H](C)O)n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is HRMYUEJGQYAUOX-TZTMORPJSA-N. The full InChI is InChI=1S/C28H33N7O3.2C27H32N8O3.2C25H27F3N6O3.C24H26F3N7O3/c1-18-5-6-21(32-26(37)20-7-8-30-24(13-20)28(3,4)17-29)14-22(18)23-15-25(35-9-11-38-12-10-35)34-27(33-23)31-19(2)16-36;2*1-17(15-36)31-26-33-22(13-24(34-26)35-7-9-38-10-8-35)21-12-20(14-30-18(21)2)32-25(37)19-5-6-29-23(11-19)27(3,4)16-28;2*1-15(14-35)30-24-32-21(12-22(33-24)34-6-8-37-9-7-34)20-11-19(13-29-16(20)2)31-23(36)17-4-3-5-18(10-17)25(26,27)28;1-14(35)12-30-23-32-19(11-21(33-23)34-5-7-37-8-6-34)18-10-17(13-29-15(18)2)31-22(36)16-3-4-28-20(9-16)24(25,26)27/h5-8,13-15,19,36H,9-12,16H2,1-4H3,(H,32,37)(H,31,33,34);2*5-6,11-14,17,36H,7-10,15H2,1-4H3,(H,32,37)(H,31,33,34);2*3-5,10-13,15,35H,6-9,14H2,1-2H3,(H,31,36)(H,30,32,33);3-4,9-11,13-14,35H,5-8,12H2,1-2H3,(H,31,36)(H,30,32,33)/t19-;2*17-;2*15-;14-/m010101/s1.
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 3099.39 g/mol, XLogP of 20.02, 45 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158566251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).