3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

C153H179F5N34O18S2 — CID 158796940

IUPAC3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(C(C)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C26H29F3N6O3.C26H29F2N5O2.C26H32N6O3.C26H32N6O2.C25H29N5O4S.C24H28N6O4S/c1-4-30-25-32-21(14-22(33-25)35-8-10-38-11-9-35)19-13-18(7-6-16(19)3)31-23(36)17-12-20(26(27,28)29)24(37)34(5-2)15-17;1-4-29-25-31-22(16-23(32-25)33-10-12-35-13-11-33)21-15-20(9-8-17(21)2)30-24(34)18-6-5-7-19(14-18)26(3,27)28;1-5-27-25-30-21(16-23(31-25)32-10-12-35-13-11-32)20-15-19(7-6-17(20)2)29-24(33)18-8-9-28-22(14-18)26(3,4)34;1-5-27-26-30-23(16-24(31-26)32-10-12-34-13-11-32)21-15-20(7-6-18(21)4)29-25(33)19-8-9-28-22(14-19)17(2)3;1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33;1-4-25-24-28-20(15-21(29-24)30-9-11-34-12-10-30)19-14-18(6-5-16(19)2)27-23(31)17-7-8-26-22(13-17)35(3,32)33/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,31,36)(H,30,32,33);5-9,14-16H,4,10-13H2,1-3H3,(H,30,34)(H,29,31,32);6-9,14-16,34H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31);6-9,14-17H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31);5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29);5-8,13-15H,4,9-12H2,1-3H3,(H,27,31)(H,25,28,29)
InChIKeyISYZUPJQVZGOSE-UHFFFAOYSA-N
MW2941.46 g/mol
LogP23.49
Rot. Bonds42

About 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158796940) has the molecular formula C153H179F5N34O18S2 and a molecular weight of 2941.46 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID158796940
Molecular FormulaC153H179F5N34O18S2
Molecular Weight2941.46 g/mol
Exact Mass2939.35
IUPAC Name3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(C(C)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C26H29F3N6O3.C26H29F2N5O2.C26H32N6O3.C26H32N6O2.C25H29N5O4S.C24H28N6O4S/c1-4-30-25-32-21(14-22(33-25)35-8-10-38-11-9-35)19-13-18(7-6-16(19)3)31-23(36)17-12-20(26(27,28)29)24(37)34(5-2)15-17;1-4-29-25-31-22(16-23(32-25)33-10-12-35-13-11-33)21-15-20(9-8-17(21)2)30-24(34)18-6-5-7-19(14-18)26(3,27)28;1-5-27-25-30-21(16-23(31-25)32-10-12-35-13-11-32)20-15-19(7-6-17(20)2)29-24(33)18-8-9-28-22(14-18)26(3,4)34;1-5-27-26-30-23(16-24(31-26)32-10-12-34-13-11-32)21-15-20(7-6-18(21)4)29-25(33)19-8-9-28-22(14-19)17(2)3;1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33;1-4-25-24-28-20(15-21(29-24)30-9-11-34-12-10-30)19-14-18(6-5-16(19)2)27-23(31)17-7-8-26-22(13-17)35(3,32)33/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,31,36)(H,30,32,33);5-9,14-16H,4,10-13H2,1-3H3,(H,30,34)(H,29,31,32);6-9,14-16,34H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31);6-9,14-17H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31);5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29);5-8,13-15H,4,9-12H2,1-3H3,(H,27,31)(H,25,28,29)
InChIKeyISYZUPJQVZGOSE-UHFFFAOYSA-N
XLogP23.49
TPSA625.46 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds42
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002941.46
LogP ≤ 523.49
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Analyze 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
CID 157282916
3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 158017739
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158262178
1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
CID 158480797
3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
CID 158501492
2-(2-cyanopropan-2-yl)-N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158621808
3-(difluoromethyl)-N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158714524
N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;5-[2-methyl-5-[2-(2-methylsulfonyl-4-pyridinyl)acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile;5-[2-methyl-5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile
CID 158917816
2-(2-cyanopropan-2-yl)-N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(2-ethoxy-6-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 160453793
2-(2-cyanopropan-2-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;1-ethyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
CID 160716489
N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 160850146
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 161623831

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (CID 158796940) is 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is CCNc1nc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(C(C)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)ccc2C)cc(N2CCOCC2)n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ISYZUPJQVZGOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O3.C26H29F2N5O2.C26H32N6O3.C26H32N6O2.C25H29N5O4S.C24H28N6O4S/c1-4-30-25-32-21(14-22(33-25)35-8-10-38-11-9-35)19-13-18(7-6-16(19)3)31-23(36)17-12-20(26(27,28)29)24(37)34(5-2)15-17;1-4-29-25-31-22(16-23(32-25)33-10-12-35-13-11-33)21-15-20(9-8-17(21)2)30-24(34)18-6-5-7-19(14-18)26(3,27)28;1-5-27-25-30-21(16-23(31-25)32-10-12-35-13-11-32)20-15-19(7-6-17(20)2)29-24(33)18-8-9-28-22(14-18)26(3,4)34;1-5-27-26-30-23(16-24(31-26)32-10-12-34-13-11-32)21-15-20(7-6-18(21)4)29-25(33)19-8-9-28-22(14-19)17(2)3;1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33;1-4-25-24-28-20(15-21(29-24)30-9-11-34-12-10-30)19-14-18(6-5-16(19)2)27-23(31)17-7-8-26-22(13-17)35(3,32)33/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,31,36)(H,30,32,33);5-9,14-16H,4,10-13H2,1-3H3,(H,30,34)(H,29,31,32);6-9,14-16,34H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31);6-9,14-17H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31);5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29);5-8,13-15H,4,9-12H2,1-3H3,(H,27,31)(H,25,28,29).
What are the key properties of 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 2941.46 g/mol, XLogP of 23.49, 42 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158796940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).