2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C156H174F5N35O15 — CID 158479061

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCNc1nc(-c2cc(C(=O)Cc3cccc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(C(=O)Cc3cccc(C(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(C(=O)Nc3ccccc3)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1
InChIInChI=1S/C29H33N5O2.C27H31N7O3.C26H28F2N4O2.C26H30N8O3.C24H25F3N6O3.C24H27N5O2/c1-5-31-28-32-25(18-27(33-28)34-11-13-36-14-12-34)24-17-22(10-9-20(24)2)26(35)16-21-7-6-8-23(15-21)29(3,4)19-30;1-18-4-5-20(31-25(36)19-6-7-29-23(14-19)27(2,3)17-28)15-21(18)22-16-24(34-9-12-37-13-10-34)33-26(32-22)30-8-11-35;1-3-29-26-30-22(16-24(31-26)32-9-11-34-12-10-32)21-15-19(8-7-17(21)2)23(33)14-18-5-4-6-20(13-18)25(27)28;1-17-20(21-14-23(34-7-10-37-11-8-34)33-25(32-21)29-6-9-35)13-19(15-30-17)31-24(36)18-4-5-28-22(12-18)26(2,3)16-27;1-15-19(20-13-21(33-6-9-36-10-7-33)32-23(31-20)28-5-8-34)12-18(14-29-15)30-22(35)16-3-2-4-17(11-16)24(25,26)27;1-3-25-24-27-21(16-22(28-24)29-11-13-31-14-12-29)20-15-18(10-9-17(20)2)23(30)26-19-7-5-4-6-8-19/h6-10,15,17-18H,5,11-14,16H2,1-4H3,(H,31,32,33);4-7,14-16,35H,8-13H2,1-3H3,(H,31,36)(H,30,32,33);4-8,13,15-16,25H,3,9-12,14H2,1-2H3,(H,29,30,31);4-5,12-15,35H,6-11H2,1-3H3,(H,31,36)(H,29,32,33);2-4,11-14,34H,5-10H2,1H3,(H,30,35)(H,28,31,32);4-10,15-16H,3,11-14H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyHHHHYHBEXULKCN-UHFFFAOYSA-N
MW2874.33 g/mol
LogP23.04
Rot. Bonds45

About 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158479061) has the molecular formula C156H174F5N35O15 and a molecular weight of 2874.33 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID158479061
Molecular FormulaC156H174F5N35O15
Molecular Weight2874.33 g/mol
Exact Mass2872.38
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCNc1nc(-c2cc(C(=O)Cc3cccc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(C(=O)Cc3cccc(C(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(C(=O)Nc3ccccc3)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1
InChIInChI=1S/C29H33N5O2.C27H31N7O3.C26H28F2N4O2.C26H30N8O3.C24H25F3N6O3.C24H27N5O2/c1-5-31-28-32-25(18-27(33-28)34-11-13-36-14-12-34)24-17-22(10-9-20(24)2)26(35)16-21-7-6-8-23(15-21)29(3,4)19-30;1-18-4-5-20(31-25(36)19-6-7-29-23(14-19)27(2,3)17-28)15-21(18)22-16-24(34-9-12-37-13-10-34)33-26(32-22)30-8-11-35;1-3-29-26-30-22(16-24(31-26)32-9-11-34-12-10-32)21-15-19(8-7-17(21)2)23(33)14-18-5-4-6-20(13-18)25(27)28;1-17-20(21-14-23(34-7-10-37-11-8-34)33-25(32-21)29-6-9-35)13-19(15-30-17)31-24(36)18-4-5-28-22(12-18)26(2,3)16-27;1-15-19(20-13-21(33-6-9-36-10-7-33)32-23(31-20)28-5-8-34)12-18(14-29-15)30-22(35)16-3-2-4-17(11-16)24(25,26)27;1-3-25-24-27-21(16-22(28-24)29-11-13-31-14-12-29)20-15-18(10-9-17(20)2)23(30)26-19-7-5-4-6-8-19/h6-10,15,17-18H,5,11-14,16H2,1-4H3,(H,31,32,33);4-7,14-16,35H,8-13H2,1-3H3,(H,31,36)(H,30,32,33);4-8,13,15-16,25H,3,9-12,14H2,1-2H3,(H,29,30,31);4-5,12-15,35H,6-11H2,1-3H3,(H,31,36)(H,29,32,33);2-4,11-14,34H,5-10H2,1H3,(H,30,35)(H,28,31,32);4-10,15-16H,3,11-14H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyHHHHYHBEXULKCN-UHFFFAOYSA-N
XLogP23.04
TPSA635.84 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds45
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002874.33
LogP ≤ 523.04
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

(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-532
CID 68036362
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
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90462501
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90462600
2-(2-cyanopropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463328
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[5-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazin-2-yl]ethenyl]benzamide;2,2,2-trifluoroacetic acid
CID 56965888
N-[4-methyl-3-[8-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopteridin-6-yl]phenyl]-N-phenyl-3-(trifluoromethyl)benzamide
CID 69500369
5-[[3-(fluoromethyl)benzoyl]amino]-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-2-methylbenzamide
CID 71130954
3-[[4-[[2-[[4-amino-2-(1,4-oxazepan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]amino]-4-[[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methylamino]-2-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-8-yl]amino]-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 91286433

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 158479061) is 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCNc1nc(-c2cc(C(=O)Cc3cccc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(C(=O)Cc3cccc(C(F)F)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(C(=O)Nc3ccccc3)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HHHHYHBEXULKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2.C27H31N7O3.C26H28F2N4O2.C26H30N8O3.C24H25F3N6O3.C24H27N5O2/c1-5-31-28-32-25(18-27(33-28)34-11-13-36-14-12-34)24-17-22(10-9-20(24)2)26(35)16-21-7-6-8-23(15-21)29(3,4)19-30;1-18-4-5-20(31-25(36)19-6-7-29-23(14-19)27(2,3)17-28)15-21(18)22-16-24(34-9-12-37-13-10-34)33-26(32-22)30-8-11-35;1-3-29-26-30-22(16-24(31-26)32-9-11-34-12-10-32)21-15-19(8-7-17(21)2)23(33)14-18-5-4-6-20(13-18)25(27)28;1-17-20(21-14-23(34-7-10-37-11-8-34)33-25(32-21)29-6-9-35)13-19(15-30-17)31-24(36)18-4-5-28-22(12-18)26(2,3)16-27;1-15-19(20-13-21(33-6-9-36-10-7-33)32-23(31-20)28-5-8-34)12-18(14-29-15)30-22(35)16-3-2-4-17(11-16)24(25,26)27;1-3-25-24-27-21(16-22(28-24)29-11-13-31-14-12-29)20-15-18(10-9-17(20)2)23(30)26-19-7-5-4-6-8-19/h6-10,15,17-18H,5,11-14,16H2,1-4H3,(H,31,32,33);4-7,14-16,35H,8-13H2,1-3H3,(H,31,36)(H,30,32,33);4-8,13,15-16,25H,3,9-12,14H2,1-2H3,(H,29,30,31);4-5,12-15,35H,6-11H2,1-3H3,(H,31,36)(H,29,32,33);2-4,11-14,34H,5-10H2,1H3,(H,30,35)(H,28,31,32);4-10,15-16H,3,11-14H2,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2874.33 g/mol, XLogP of 23.04, 45 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-[3-(difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;2-[3-[2-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158479061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).