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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

C148H164F10N42O13 — CID 158058408

IUPAC2-(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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C27H31N7O2.C26H30N8O2.C25H28F3N7O3.C24H26F2N6O2.C23H24F3N7O2.C23H25F2N7O2/c1-5-29-26-32-22(16-24(33-26)34-10-12-36-13-11-34)21-15-20(7-6-18(21)2)31-25(35)19-8-9-30-23(14-19)27(3,4)17-28;1-5-28-25-32-21(14-23(33-25)34-8-10-36-11-9-34)20-13-19(15-30-17(20)2)31-24(35)18-6-7-29-22(12-18)26(3,4)16-27;1-4-29-24-32-20(12-21(33-24)35-6-8-38-9-7-35)18-11-17(13-30-15(18)3)31-22(36)16-10-19(25(26,27)28)23(37)34(5-2)14-16;1-3-27-24-30-20(13-21(31-24)32-7-9-34-10-8-32)19-12-18(14-28-15(19)2)29-23(33)17-6-4-5-16(11-17)22(25)26;1-3-27-22-31-18(12-20(32-22)33-6-8-35-9-7-33)17-11-16(13-29-14(17)2)30-21(34)15-4-5-28-19(10-15)23(24,25)26;1-3-26-23-30-18(12-20(31-23)32-6-8-34-9-7-32)17-11-16(13-28-14(17)2)29-22(33)15-4-5-27-19(10-15)21(24)25/h6-9,14-16H,5,10-13H2,1-4H3,(H,31,35)(H,29,32,33);6-7,12-15H,5,8-11H2,1-4H3,(H,31,35)(H,28,32,33);10-14H,4-9H2,1-3H3,(H,31,36)(H,29,32,33);4-6,11-14,22H,3,7-10H2,1-2H3,(H,29,33)(H,27,30,31);4-5,10-13H,3,6-9H2,1-2H3,(H,30,34)(H,27,31,32);4-5,10-13,21H,3,6-9H2,1-2H3,(H,29,33)(H,26,30,31)
InChIKeyFKISXNMGNKPPBU-UHFFFAOYSA-N
MW2929.20 g/mol
LogP23.09
Rot. Bonds41

About 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158058408) has the molecular formula C148H164F10N42O13 and a molecular weight of 2929.20 g/mol. Its IUPAC name is 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID158058408
Molecular FormulaC148H164F10N42O13
Molecular Weight2929.20 g/mol
Exact Mass2927.33
IUPAC Name2-(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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C27H31N7O2.C26H30N8O2.C25H28F3N7O3.C24H26F2N6O2.C23H24F3N7O2.C23H25F2N7O2/c1-5-29-26-32-22(16-24(33-26)34-10-12-36-13-11-34)21-15-20(7-6-18(21)2)31-25(35)19-8-9-30-23(14-19)27(3,4)17-28;1-5-28-25-32-21(14-23(33-25)34-8-10-36-11-9-34)20-13-19(15-30-17(20)2)31-24(35)18-6-7-29-22(12-18)26(3,4)16-27;1-4-29-24-32-20(12-21(33-24)35-6-8-38-9-7-35)18-11-17(13-30-15(18)3)31-22(36)16-10-19(25(26,27)28)23(37)34(5-2)14-16;1-3-27-24-30-20(13-21(31-24)32-7-9-34-10-8-32)19-12-18(14-28-15(19)2)29-23(33)17-6-4-5-16(11-17)22(25)26;1-3-27-22-31-18(12-20(32-22)33-6-8-35-9-7-33)17-11-16(13-29-14(17)2)30-21(34)15-4-5-28-19(10-15)23(24,25)26;1-3-26-23-30-18(12-20(31-23)32-6-8-34-9-7-32)17-11-16(13-28-14(17)2)29-22(33)15-4-5-27-19(10-15)21(24)25/h6-9,14-16H,5,10-13H2,1-4H3,(H,31,35)(H,29,32,33);6-7,12-15H,5,8-11H2,1-4H3,(H,31,35)(H,28,32,33);10-14H,4-9H2,1-3H3,(H,31,36)(H,29,32,33);4-6,11-14,22H,3,7-10H2,1-2H3,(H,29,33)(H,27,30,31);4-5,10-13H,3,6-9H2,1-2H3,(H,30,34)(H,27,31,32);4-5,10-13,21H,3,6-9H2,1-2H3,(H,29,33)(H,26,30,31)
InChIKeyFKISXNMGNKPPBU-UHFFFAOYSA-N
XLogP23.09
TPSA661.87 Ų
H-Bond Donors12
H-Bond Acceptors49
Rotatable Bonds41
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002929.20
LogP ≤ 523.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1049

Analyze 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Aminopyrimidine amide, 13e
CID 16118605
Aminopyrimidine amide, 13c
CID 16118609
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 44571966
4-[[3-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 155531582
US8653087, III-322
CID 68036079
US8653087, III-382
CID 68036155
US8653087, III-393
CID 68036171
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]benzamide
CID 68039289
2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 86295249
3-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide
CID 86295250
5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide
CID 86295251
5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide
CID 86295252

Frequently Asked Questions

What is the IUPAC name of 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (CID 158058408) is 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is CCNc1nc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc(N2CCOCC2)n1.CCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1.
What is the InChIKey of 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FKISXNMGNKPPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2.C26H30N8O2.C25H28F3N7O3.C24H26F2N6O2.C23H24F3N7O2.C23H25F2N7O2/c1-5-29-26-32-22(16-24(33-26)34-10-12-36-13-11-34)21-15-20(7-6-18(21)2)31-25(35)19-8-9-30-23(14-19)27(3,4)17-28;1-5-28-25-32-21(14-23(33-25)34-8-10-36-11-9-34)20-13-19(15-30-17(20)2)31-24(35)18-6-7-29-22(12-18)26(3,4)16-27;1-4-29-24-32-20(12-21(33-24)35-6-8-38-9-7-35)18-11-17(13-30-15(18)3)31-22(36)16-10-19(25(26,27)28)23(37)34(5-2)14-16;1-3-27-24-30-20(13-21(31-24)32-7-9-34-10-8-32)19-12-18(14-28-15(19)2)29-23(33)17-6-4-5-16(11-17)22(25)26;1-3-27-22-31-18(12-20(32-22)33-6-8-35-9-7-33)17-11-16(13-29-14(17)2)30-21(34)15-4-5-28-19(10-15)23(24,25)26;1-3-26-23-30-18(12-20(31-23)32-6-8-34-9-7-32)17-11-16(13-28-14(17)2)29-22(33)15-4-5-27-19(10-15)21(24)25/h6-9,14-16H,5,10-13H2,1-4H3,(H,31,35)(H,29,32,33);6-7,12-15H,5,8-11H2,1-4H3,(H,31,35)(H,28,32,33);10-14H,4-9H2,1-3H3,(H,31,36)(H,29,32,33);4-6,11-14,22H,3,7-10H2,1-2H3,(H,29,33)(H,27,30,31);4-5,10-13H,3,6-9H2,1-2H3,(H,30,34)(H,27,31,32);4-5,10-13,21H,3,6-9H2,1-2H3,(H,29,33)(H,26,30,31).
What are the key properties of 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 2929.20 g/mol, XLogP of 23.09, 41 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158058408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).